4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid

C13H24N2O3 — CID 122006389

IUPAC4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
SMILESCCCC1(CNC(=O)NCCCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-13)10-15-12(18)14-9-3-5-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCUWYHFBHPPFITI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds8

About 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid

4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid (PubChem CID 122006389) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
PubChem CID122006389
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
SMILESCCCC1(CNC(=O)NCCCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-13)10-15-12(18)14-9-3-5-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCUWYHFBHPPFITI-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
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-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 122023043
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
4-[2-[1-(methoxymethyl)cyclobutyl]ethylcarbamoylamino]butanoic acid
CID 122015399
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-butylurea
CID 115456919
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
3-[(1-prop-2-enylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 122016649
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid (CID 122006389) is 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid is CCCC1(CNC(=O)NCCCC(=O)O)CCC1.
What is the InChIKey of 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid?
The InChIKey is CUWYHFBHPPFITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-6-13(7-4-8-13)10-15-12(18)14-9-3-5-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid?
4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 122006389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).