4-aminobutanoic acid;urea

C5H13N3O3 — CID 87654258

IUPAC4-aminobutanoic acid;urea
SMILESNC(N)=O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.CH4N2O/c5-3-1-2-4(6)7;2-1(3)4/h1-3,5H2,(H,6,7);(H4,2,3,4)
InChIKeyHAOUKZAAZLHVOR-UHFFFAOYSA-N
MW163.18 g/mol
LogP-1.17
Rot. Bonds3

About 4-aminobutanoic acid;urea

4-aminobutanoic acid;urea (PubChem CID 87654258) has the molecular formula C5H13N3O3 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-aminobutanoic acid;urea.

Molecular Properties

Compound Name4-aminobutanoic acid;urea
PubChem CID87654258
Molecular FormulaC5H13N3O3
Molecular Weight163.18 g/mol
Exact Mass163.10
IUPAC Name4-aminobutanoic acid;urea
SMILESNC(N)=O.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.CH4N2O/c5-3-1-2-4(6)7;2-1(3)4/h1-3,5H2,(H,6,7);(H4,2,3,4)
InChIKeyHAOUKZAAZLHVOR-UHFFFAOYSA-N
XLogP-1.17
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-aminobutanoic acid;dihydrochloride
CID 87111723
potassium;4-aminobutanoic acid;hydride
CID 173078667
12-aminododecanoic acid;carbamic acid
CID 157488032
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
heptanedioic acid;hexane-1,6-diamine
CID 174639050
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
12-aminododecanoic acid;hydrochloride
CID 12651573
6-aminohexanoic acid;zinc
CID 175049463
4-aminobutanoic acid;2-chloro-2-methylpropane
CID 155408574
magnesium;bis(4-aminobutanoic acid);butanoic acid
CID 11956325
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;urea?
The IUPAC name of 4-aminobutanoic acid;urea (CID 87654258) is 4-aminobutanoic acid;urea.
What is the SMILES notation for 4-aminobutanoic acid;urea?
The canonical SMILES for 4-aminobutanoic acid;urea is NC(N)=O.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;urea?
The InChIKey is HAOUKZAAZLHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH4N2O/c5-3-1-2-4(6)7;2-1(3)4/h1-3,5H2,(H,6,7);(H4,2,3,4).
What are the key properties of 4-aminobutanoic acid;urea?
4-aminobutanoic acid;urea has a molecular weight of 163.18 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;urea is sourced from PubChem (CID 87654258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).