(2R)-2-amino-2-(carbamoylamino)propanoic acid

C4H9N3O3 — CID 90965487

IUPAC(2R)-2-amino-2-(carbamoylamino)propanoic acid
SMILESC[C@@](N)(NC(N)=O)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-4(6,2(8)9)7-3(5)10/h6H2,1H3,(H,8,9)(H3,5,7,10)/t4-/m1/s1
InChIKeyAEEXLQAYOQTWFX-SCSAIBSYSA-N
MW147.13 g/mol
LogP-1.59
Rot. Bonds2

About (2R)-2-amino-2-(carbamoylamino)propanoic acid

(2R)-2-amino-2-(carbamoylamino)propanoic acid (PubChem CID 90965487) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-amino-2-(carbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(carbamoylamino)propanoic acid
PubChem CID90965487
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(2R)-2-amino-2-(carbamoylamino)propanoic acid
SMILESC[C@@](N)(NC(N)=O)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-4(6,2(8)9)7-3(5)10/h6H2,1H3,(H,8,9)(H3,5,7,10)/t4-/m1/s1
InChIKeyAEEXLQAYOQTWFX-SCSAIBSYSA-N
XLogP-1.59
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.59
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 (2R)-2-amino-2-(carbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(carbamoylamino)propanoic acid (CID 90965487) is (2R)-2-amino-2-(carbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(carbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(carbamoylamino)propanoic acid is C[C@@](N)(NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(carbamoylamino)propanoic acid?
The InChIKey is AEEXLQAYOQTWFX-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-4(6,2(8)9)7-3(5)10/h6H2,1H3,(H,8,9)(H3,5,7,10)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-2-(carbamoylamino)propanoic acid?
(2R)-2-amino-2-(carbamoylamino)propanoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.59, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(carbamoylamino)propanoic acid is sourced from PubChem (CID 90965487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).