2-(carbamoylamino)acetic acid

C3H6N2O3 — CID 10020

IUPAC2-(carbamoylamino)acetic acid
SMILESNC(=O)NCC(=O)O
InChIInChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKeyKZVRXPPUJQRGFN-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.26
Rot. Bonds2

About 2-(carbamoylamino)acetic acid

2-(carbamoylamino)acetic acid (PubChem CID 10020) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is 2-(carbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)acetic acid
PubChem CID10020
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name2-(carbamoylamino)acetic acid
SMILESNC(=O)NCC(=O)O
InChIInChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKeyKZVRXPPUJQRGFN-UHFFFAOYSA-N
XLogP-1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)acetic acid?
The IUPAC name of 2-(carbamoylamino)acetic acid (CID 10020) is 2-(carbamoylamino)acetic acid.
What is the SMILES notation for 2-(carbamoylamino)acetic acid?
The canonical SMILES for 2-(carbamoylamino)acetic acid is NC(=O)NCC(=O)O.
What is the InChIKey of 2-(carbamoylamino)acetic acid?
The InChIKey is KZVRXPPUJQRGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8).
What are the key properties of 2-(carbamoylamino)acetic acid?
2-(carbamoylamino)acetic acid has a molecular weight of 118.09 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)acetic acid is sourced from PubChem (CID 10020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).