(2S)-2-(carbamoylamino)propanoate

C4H7N2O3- — CID 6988658

IUPAC(2S)-2-(carbamoylamino)propanoate
SMILESC[C@H](NC(N)=O)C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1
InChIKeyLUSWEUMSEVLFEQ-REOHCLBHSA-M
MW131.11 g/mol
LogP-2.21
Rot. Bonds2

About (2S)-2-(carbamoylamino)propanoate

(2S)-2-(carbamoylamino)propanoate (PubChem CID 6988658) has the molecular formula C4H7N2O3- and a molecular weight of 131.11 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)propanoate.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)propanoate
PubChem CID6988658
Molecular FormulaC4H7N2O3-
Molecular Weight131.11 g/mol
Exact Mass131.05
IUPAC Name(2S)-2-(carbamoylamino)propanoate
SMILESC[C@H](NC(N)=O)C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1
InChIKeyLUSWEUMSEVLFEQ-REOHCLBHSA-M
XLogP-2.21
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)propanoate?
The IUPAC name of (2S)-2-(carbamoylamino)propanoate (CID 6988658) is (2S)-2-(carbamoylamino)propanoate.
What is the SMILES notation for (2S)-2-(carbamoylamino)propanoate?
The canonical SMILES for (2S)-2-(carbamoylamino)propanoate is C[C@H](NC(N)=O)C(=O)[O-].
What is the InChIKey of (2S)-2-(carbamoylamino)propanoate?
The InChIKey is LUSWEUMSEVLFEQ-REOHCLBHSA-M. The full InChI is InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/p-1/t2-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)propanoate?
(2S)-2-(carbamoylamino)propanoate has a molecular weight of 131.11 g/mol, XLogP of -2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)propanoate is sourced from PubChem (CID 6988658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).