4-(prop-1-en-2-ylcarbamoylamino)butanoic acid

C8H14N2O3 — CID 108910206

IUPAC4-(prop-1-en-2-ylcarbamoylamino)butanoic acid
SMILESC=C(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-8(13)9-5-3-4-7(11)12/h1,3-5H2,2H3,(H,11,12)(H2,9,10,13)
InChIKeyKRDAIWDYNBQBLW-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.68
Rot. Bonds5

About 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid

4-(prop-1-en-2-ylcarbamoylamino)butanoic acid (PubChem CID 108910206) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(prop-1-en-2-ylcarbamoylamino)butanoic acid
PubChem CID108910206
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(prop-1-en-2-ylcarbamoylamino)butanoic acid
SMILESC=C(C)NC(=O)NCCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-6(2)10-8(13)9-5-3-4-7(11)12/h1,3-5H2,2H3,(H,11,12)(H2,9,10,13)
InChIKeyKRDAIWDYNBQBLW-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
CID 108910349
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446
4-(prop-2-ynylcarbamoylamino)butanoic acid
CID 61192126
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
(2S,3S)-2-(3-carboxypropylcarbamoylamino)-3-methylpentanoic acid
CID 146684677
4-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330626

Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid (CID 108910206) is 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid is C=C(C)NC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid?
The InChIKey is KRDAIWDYNBQBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(2)10-8(13)9-5-3-4-7(11)12/h1,3-5H2,2H3,(H,11,12)(H2,9,10,13).
What are the key properties of 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid?
4-(prop-1-en-2-ylcarbamoylamino)butanoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-en-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 108910206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).