2-(2-carbamoyloxyethylamino)propanoic acid

C6H12N2O4 — CID 83210628

IUPAC2-(2-carbamoyloxyethylamino)propanoic acid
SMILESCC(NCCOC(N)=O)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-4(5(9)10)8-2-3-12-6(7)11/h4,8H,2-3H2,1H3,(H2,7,11)(H,9,10)
InChIKeyRLFSBFJCTNVICS-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.86
Rot. Bonds5

About 2-(2-carbamoyloxyethylamino)propanoic acid

2-(2-carbamoyloxyethylamino)propanoic acid (PubChem CID 83210628) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(2-carbamoyloxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-carbamoyloxyethylamino)propanoic acid
PubChem CID83210628
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-(2-carbamoyloxyethylamino)propanoic acid
SMILESCC(NCCOC(N)=O)C(=O)O
InChIInChI=1S/C6H12N2O4/c1-4(5(9)10)8-2-3-12-6(7)11/h4,8H,2-3H2,1H3,(H2,7,11)(H,9,10)
InChIKeyRLFSBFJCTNVICS-UHFFFAOYSA-N
XLogP-0.86
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyloxyethylamino)propanoic acid?
The IUPAC name of 2-(2-carbamoyloxyethylamino)propanoic acid (CID 83210628) is 2-(2-carbamoyloxyethylamino)propanoic acid.
What is the SMILES notation for 2-(2-carbamoyloxyethylamino)propanoic acid?
The canonical SMILES for 2-(2-carbamoyloxyethylamino)propanoic acid is CC(NCCOC(N)=O)C(=O)O.
What is the InChIKey of 2-(2-carbamoyloxyethylamino)propanoic acid?
The InChIKey is RLFSBFJCTNVICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-4(5(9)10)8-2-3-12-6(7)11/h4,8H,2-3H2,1H3,(H2,7,11)(H,9,10).
What are the key properties of 2-(2-carbamoyloxyethylamino)propanoic acid?
2-(2-carbamoyloxyethylamino)propanoic acid has a molecular weight of 176.17 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyloxyethylamino)propanoic acid is sourced from PubChem (CID 83210628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).