(2S)-2-amino-2-(carbamoylamino)acetic acid

C3H7N3O3 — CID 45479615

IUPAC(2S)-2-amino-2-(carbamoylamino)acetic acid
SMILESNC(=O)N[C@H](N)C(=O)O
InChIInChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
InChIKeyVTFWFHCECSOPSX-SFOWXEAESA-N
MW133.11 g/mol
LogP-1.98
Rot. Bonds2

About (2S)-2-amino-2-(carbamoylamino)acetic acid

(2S)-2-amino-2-(carbamoylamino)acetic acid (PubChem CID 45479615) has the molecular formula C3H7N3O3 and a molecular weight of 133.11 g/mol. Its IUPAC name is (2S)-2-amino-2-(carbamoylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(carbamoylamino)acetic acid
PubChem CID45479615
Molecular FormulaC3H7N3O3
Molecular Weight133.11 g/mol
Exact Mass133.05
IUPAC Name(2S)-2-amino-2-(carbamoylamino)acetic acid
SMILESNC(=O)N[C@H](N)C(=O)O
InChIInChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1
InChIKeyVTFWFHCECSOPSX-SFOWXEAESA-N
XLogP-1.98
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(carbamoylamino)acetic acid?
The IUPAC name of (2S)-2-amino-2-(carbamoylamino)acetic acid (CID 45479615) is (2S)-2-amino-2-(carbamoylamino)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(carbamoylamino)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(carbamoylamino)acetic acid is NC(=O)N[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(carbamoylamino)acetic acid?
The InChIKey is VTFWFHCECSOPSX-SFOWXEAESA-N. The full InChI is InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1.
What are the key properties of (2S)-2-amino-2-(carbamoylamino)acetic acid?
(2S)-2-amino-2-(carbamoylamino)acetic acid has a molecular weight of 133.11 g/mol, XLogP of -1.98, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(carbamoylamino)acetic acid is sourced from PubChem (CID 45479615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).