2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate

C6H13N3O3 — CID 83211892

IUPAC2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
SMILESC[C@H](N)C(=O)NCCOC(N)=O
InChIInChI=1S/C6H13N3O3/c1-4(7)5(10)9-2-3-12-6(8)11/h4H,2-3,7H2,1H3,(H2,8,11)(H,9,10)/t4-/m0/s1
InChIKeySZLXKLIIQDTOGZ-BYPYZUCNSA-N
MW175.19 g/mol
LogP-1.45
Rot. Bonds4

About 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate

2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate (PubChem CID 83211892) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
PubChem CID83211892
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
SMILESC[C@H](N)C(=O)NCCOC(N)=O
InChIInChI=1S/C6H13N3O3/c1-4(7)5(10)9-2-3-12-6(8)11/h4H,2-3,7H2,1H3,(H2,8,11)(H,9,10)/t4-/m0/s1
InChIKeySZLXKLIIQDTOGZ-BYPYZUCNSA-N
XLogP-1.45
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.45
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-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate (CID 83211892) is 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate is C[C@H](N)C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate?
The InChIKey is SZLXKLIIQDTOGZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-4(7)5(10)9-2-3-12-6(8)11/h4H,2-3,7H2,1H3,(H2,8,11)(H,9,10)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate?
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate has a molecular weight of 175.19 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate is sourced from PubChem (CID 83211892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).