4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid

C13H24N2O4 — CID 122023043

IUPAC4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NCC1(CCO)CCCC1
InChIInChI=1S/C13H24N2O4/c16-9-7-13(5-1-2-6-13)10-15-12(19)14-8-3-4-11(17)18/h16H,1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyISDSOPJUEMDBTQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds8

About 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid

4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid (PubChem CID 122023043) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
PubChem CID122023043
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NCC1(CCO)CCCC1
InChIInChI=1S/C13H24N2O4/c16-9-7-13(5-1-2-6-13)10-15-12(19)14-8-3-4-11(17)18/h16H,1-10H2,(H,17,18)(H2,14,15,19)
InChIKeyISDSOPJUEMDBTQ-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-propylcyclobutyl)methylcarbamoylamino]butanoic acid
CID 122006389
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]butanoic acid
CID 114756436
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
4-[2-[1-(methoxymethyl)cyclobutyl]ethylcarbamoylamino]butanoic acid
CID 122015399
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
3-[(1-prop-2-enylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 122016649
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 114750427

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid (CID 122023043) is 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NCC1(CCO)CCCC1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The InChIKey is ISDSOPJUEMDBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c16-9-7-13(5-1-2-6-13)10-15-12(19)14-8-3-4-11(17)18/h16H,1-10H2,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)cyclopentyl]methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 122023043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).