tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C18H32N4O10 — CID 158695220

IUPACtert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)NC(=O)CNCC(N)=O
InChIInChI=1S/C9H17N3O4.C9H15NO6/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15);4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIGVUJINPVNCQFI-UHFFFAOYSA-N
MW464.47 g/mol
LogP-0.49
Rot. Bonds8

About tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 158695220) has the molecular formula C18H32N4O10 and a molecular weight of 464.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID158695220
Molecular FormulaC18H32N4O10
Molecular Weight464.47 g/mol
Exact Mass464.21
IUPAC Nametert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)NC(=O)CNCC(N)=O
InChIInChI=1S/C9H17N3O4.C9H15NO6/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15);4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIGVUJINPVNCQFI-UHFFFAOYSA-N
XLogP-0.49
TPSA214.66 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2Z)-2-amino-2-hydroxyiminoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 10562427
2-azidoethanamine;N-(2-azidoethyl)-2-[[2-(2-azidoethylamino)-2-oxoethyl]amino]acetamide;tert-butyl N,N-bis[2-(2-azidoethylamino)-2-oxoethyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;molecular hydrogen
CID 167680747
acetylene;2-[(2-fluoro-2-phosphanylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 142195127
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
2-[3-chloroprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 165350727
5-amino-6-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]hexanoic acid
CID 21091710
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]propanoic acid
CID 54534542
tert-butyl N-propanoylcarbamate;molecular fluorine
CID 90778039
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 158695220) is tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)NC(=O)CNCC(N)=O.
What is the InChIKey of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is IGVUJINPVNCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4.C9H15NO6/c1-9(2,3)16-8(15)12-7(14)5-11-4-6(10)13;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h11H,4-5H2,1-3H3,(H2,10,13)(H,12,14,15);4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 464.47 g/mol, XLogP of -0.49, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]acetyl]carbamate;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 158695220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).