2-(carbamoylamino)acetic acid

C6H12N4O6 — CID 87288569

IUPAC2-(carbamoylamino)acetic acid
SMILESNC(=O)NCC(=O)O.NC(=O)NCC(=O)O
InChIInChI=1S/2C3H6N2O3/c2*4-3(8)5-1-2(6)7/h2*1H2,(H,6,7)(H3,4,5,8)
InChIKeyYEDHZLRODHZHGR-UHFFFAOYSA-N
MW236.18 g/mol
LogP-2.52
Rot. Bonds4

About 2-(carbamoylamino)acetic acid

2-(carbamoylamino)acetic acid (PubChem CID 87288569) has the molecular formula C6H12N4O6 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(carbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(carbamoylamino)acetic acid
PubChem CID87288569
Molecular FormulaC6H12N4O6
Molecular Weight236.18 g/mol
Exact Mass236.08
IUPAC Name2-(carbamoylamino)acetic acid
SMILESNC(=O)NCC(=O)O.NC(=O)NCC(=O)O
InChIInChI=1S/2C3H6N2O3/c2*4-3(8)5-1-2(6)7/h2*1H2,(H,6,7)(H3,4,5,8)
InChIKeyYEDHZLRODHZHGR-UHFFFAOYSA-N
XLogP-2.52
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.18
LogP ≤ 5-2.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxamoylamino)acetic acid
CID 55281663
2-(carbamoylcarbamothioylamino)acetic acid
CID 21133377
carbamothioic S-acid;2-(sulfanylcarbonylamino)acetic acid
CID 88510023
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-methylprop-2-enylurea
CID 22226516
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
(3-methyl-2-oxobutyl)urea
CID 20600814
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
2-(7-aminoheptanoylamino)acetic acid
CID 18934956

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)acetic acid?
The IUPAC name of 2-(carbamoylamino)acetic acid (CID 87288569) 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.NC(=O)NCC(=O)O.
What is the InChIKey of 2-(carbamoylamino)acetic acid?
The InChIKey is YEDHZLRODHZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6N2O3/c2*4-3(8)5-1-2(6)7/h2*1H2,(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 236.18 g/mol, XLogP of -2.52, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)acetic acid is sourced from PubChem (CID 87288569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).