tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate

C9H18N2O3 — CID 91979511

IUPACtert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(11-7(12)5-10)8(13)14-9(2,3)4/h6H,5,10H2,1-4H3,(H,11,12)/t6-/m0/s1
InChIKeyBAVSPEFOLBAPHJ-LURJTMIESA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds3

About tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate

tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate (PubChem CID 91979511) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate
PubChem CID91979511
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(11-7(12)5-10)8(13)14-9(2,3)4/h6H,5,10H2,1-4H3,(H,11,12)/t6-/m0/s1
InChIKeyBAVSPEFOLBAPHJ-LURJTMIESA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
tert-butyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate
CID 71454071
Boc-Ala-NH2
CID 7015295
tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate
CID 545702
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
Tert-butyl (2-(isopropylamino)-2-oxoethyl)carbamate
CID 21034185
N-[N-Boc-D-alaninyl]-D-alanine
CID 86308274
Tert-butyl 2-acetamidoacetate
CID 11715255
Tert-butyl 2-(2-aminoacetamido)acetate
CID 15403805
Tert-butyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 22418648
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate (CID 91979511) is tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate is C[C@H](NC(=O)CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate?
The InChIKey is BAVSPEFOLBAPHJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(11-7(12)5-10)8(13)14-9(2,3)4/h6H,5,10H2,1-4H3,(H,11,12)/t6-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate?
tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-aminoacetyl)amino]propanoate is sourced from PubChem (CID 91979511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).