3-amino-2-(propoxycarbonylamino)propanoic acid

C7H14N2O4 — CID 54022488

IUPAC3-amino-2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)NC(CN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-13-7(12)9-5(4-8)6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)
InChIKeyKZXBTRFMUCQGTA-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.47
Rot. Bonds5

About 3-amino-2-(propoxycarbonylamino)propanoic acid

3-amino-2-(propoxycarbonylamino)propanoic acid (PubChem CID 54022488) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-amino-2-(propoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(propoxycarbonylamino)propanoic acid
PubChem CID54022488
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name3-amino-2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)NC(CN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-13-7(12)9-5(4-8)6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)
InChIKeyKZXBTRFMUCQGTA-UHFFFAOYSA-N
XLogP-0.47
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propoxycarbonylamino)butanedioic acid
CID 142164460
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
3-(methyldisulfanyl)-2-(propoxycarbonylamino)propanoic acid
CID 89040713
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7020984
propyl N-(dihydroxymethyl)carbamate
CID 174469306
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2R)-2-(butoxycarbonylamino)-3-methylsulfanylpropanoic acid
CID 89488199
acetyl fluoride;(2S)-2-(butoxycarbonylamino)butanedioic acid
CID 118383865
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019
propyl 2-(propoxycarbonylamino)pent-4-enoate
CID 91722512
(2S)-2-(butoxycarbonylamino)-4-methylsulfanylbutanoic acid
CID 54317613
(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid
CID 59617618

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(propoxycarbonylamino)propanoic acid?
The IUPAC name of 3-amino-2-(propoxycarbonylamino)propanoic acid (CID 54022488) is 3-amino-2-(propoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-(propoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-amino-2-(propoxycarbonylamino)propanoic acid is CCCOC(=O)NC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(propoxycarbonylamino)propanoic acid?
The InChIKey is KZXBTRFMUCQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-3-13-7(12)9-5(4-8)6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-amino-2-(propoxycarbonylamino)propanoic acid?
3-amino-2-(propoxycarbonylamino)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(propoxycarbonylamino)propanoic acid is sourced from PubChem (CID 54022488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).