(3S)-3-(carbamoylamino)butanoic acid

C5H10N2O3 — CID 88558787

IUPAC(3S)-3-(carbamoylamino)butanoic acid
SMILESC[C@@H](CC(=O)O)NC(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(2-4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKeyKEKWHWDFMALYBU-VKHMYHEASA-N
MW146.15 g/mol
LogP-0.48
Rot. Bonds3

About (3S)-3-(carbamoylamino)butanoic acid

(3S)-3-(carbamoylamino)butanoic acid (PubChem CID 88558787) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)butanoic acid.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)butanoic acid
PubChem CID88558787
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(3S)-3-(carbamoylamino)butanoic acid
SMILESC[C@@H](CC(=O)O)NC(N)=O
InChIInChI=1S/C5H10N2O3/c1-3(2-4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1
InChIKeyKEKWHWDFMALYBU-VKHMYHEASA-N
XLogP-0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)butanoic acid?
The IUPAC name of (3S)-3-(carbamoylamino)butanoic acid (CID 88558787) is (3S)-3-(carbamoylamino)butanoic acid.
What is the SMILES notation for (3S)-3-(carbamoylamino)butanoic acid?
The canonical SMILES for (3S)-3-(carbamoylamino)butanoic acid is C[C@@H](CC(=O)O)NC(N)=O.
What is the InChIKey of (3S)-3-(carbamoylamino)butanoic acid?
The InChIKey is KEKWHWDFMALYBU-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(2-4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)butanoic acid?
(3S)-3-(carbamoylamino)butanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)butanoic acid is sourced from PubChem (CID 88558787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).