2-[(carbamoylamino)-prop-2-enylamino]acetic acid

C6H11N3O3 — CID 173292700

IUPAC2-[(carbamoylamino)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)NC(N)=O
InChIInChI=1S/C6H11N3O3/c1-2-3-9(4-5(10)11)8-6(7)12/h2H,1,3-4H2,(H,10,11)(H3,7,8,12)
InChIKeyJVDXCQPQKGPGGS-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.86
Rot. Bonds5

About 2-[(carbamoylamino)-prop-2-enylamino]acetic acid

2-[(carbamoylamino)-prop-2-enylamino]acetic acid (PubChem CID 173292700) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[(carbamoylamino)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(carbamoylamino)-prop-2-enylamino]acetic acid
PubChem CID173292700
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[(carbamoylamino)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)NC(N)=O
InChIInChI=1S/C6H11N3O3/c1-2-3-9(4-5(10)11)8-6(7)12/h2H,1,3-4H2,(H,10,11)(H3,7,8,12)
InChIKeyJVDXCQPQKGPGGS-UHFFFAOYSA-N
XLogP-0.86
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[prop-2-enyl(propylamino)amino]acetic acid
CID 174797224
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
2-[[2-(carbamoylamino)-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263277
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
CID 173337215
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275634

Frequently Asked Questions

What is the IUPAC name of 2-[(carbamoylamino)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(carbamoylamino)-prop-2-enylamino]acetic acid (CID 173292700) is 2-[(carbamoylamino)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(carbamoylamino)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(carbamoylamino)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)NC(N)=O.
What is the InChIKey of 2-[(carbamoylamino)-prop-2-enylamino]acetic acid?
The InChIKey is JVDXCQPQKGPGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-2-3-9(4-5(10)11)8-6(7)12/h2H,1,3-4H2,(H,10,11)(H3,7,8,12).
What are the key properties of 2-[(carbamoylamino)-prop-2-enylamino]acetic acid?
2-[(carbamoylamino)-prop-2-enylamino]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(carbamoylamino)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 173292700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).