tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate

C8H17N3O4 — CID 130003468

IUPACtert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C(N)CO
InChIInChI=1S/C8H17N3O4/c1-8(2,3)15-7(14)11-10-6(13)5(9)4-12/h5,12H,4,9H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyDDNMURQSIGVQAJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.14
Rot. Bonds2

About tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate

tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate (PubChem CID 130003468) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate
PubChem CID130003468
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Nametert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C(N)CO
InChIInChI=1S/C8H17N3O4/c1-8(2,3)15-7(14)11-10-6(13)5(9)4-12/h5,12H,4,9H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyDDNMURQSIGVQAJ-UHFFFAOYSA-N
XLogP-1.14
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
CID 22845505
tert-butyl N-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]carbamate
CID 139252847
methyl 2-[[2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-hydroxypropanoate
CID 100992827
tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate
CID 53360518
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
[(4S)-1-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-tert-butylcarbamic acid
CID 87188960
tert-butyl N-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]carbamate
CID 131713868
tert-butyl N-(2-propylsulfonylpropanoylamino)carbamate
CID 75405177
tert-butyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 10892684
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamate
CID 14789458

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate (CID 130003468) is tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate is CC(C)(C)OC(=O)NNC(=O)C(N)CO.
What is the InChIKey of tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate?
The InChIKey is DDNMURQSIGVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-8(2,3)15-7(14)11-10-6(13)5(9)4-12/h5,12H,4,9H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate?
tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate has a molecular weight of 219.24 g/mol, XLogP of -1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate is sourced from PubChem (CID 130003468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).