2-[(carbamoylamino)methylamino]acetic acid

C4H9N3O3 — CID 55291186

IUPAC2-[(carbamoylamino)methylamino]acetic acid
SMILESNC(=O)NCNCC(=O)O
InChIInChI=1S/C4H9N3O3/c5-4(10)7-2-6-1-3(8)9/h6H,1-2H2,(H,8,9)(H3,5,7,10)
InChIKeyYHPYNHBLQGJTRK-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.71
Rot. Bonds4

About 2-[(carbamoylamino)methylamino]acetic acid

2-[(carbamoylamino)methylamino]acetic acid (PubChem CID 55291186) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[(carbamoylamino)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(carbamoylamino)methylamino]acetic acid
PubChem CID55291186
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name2-[(carbamoylamino)methylamino]acetic acid
SMILESNC(=O)NCNCC(=O)O
InChIInChI=1S/C4H9N3O3/c5-4(10)7-2-6-1-3(8)9/h6H,1-2H2,(H,8,9)(H3,5,7,10)
InChIKeyYHPYNHBLQGJTRK-UHFFFAOYSA-N
XLogP-1.71
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(carbamoylamino)methylamino]acetic acid?
The IUPAC name of 2-[(carbamoylamino)methylamino]acetic acid (CID 55291186) is 2-[(carbamoylamino)methylamino]acetic acid.
What is the SMILES notation for 2-[(carbamoylamino)methylamino]acetic acid?
The canonical SMILES for 2-[(carbamoylamino)methylamino]acetic acid is NC(=O)NCNCC(=O)O.
What is the InChIKey of 2-[(carbamoylamino)methylamino]acetic acid?
The InChIKey is YHPYNHBLQGJTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-4(10)7-2-6-1-3(8)9/h6H,1-2H2,(H,8,9)(H3,5,7,10).
What are the key properties of 2-[(carbamoylamino)methylamino]acetic acid?
2-[(carbamoylamino)methylamino]acetic acid has a molecular weight of 147.13 g/mol, XLogP of -1.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(carbamoylamino)methylamino]acetic acid is sourced from PubChem (CID 55291186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).