1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid

C12H21NO3 — CID 103159405

IUPAC1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NCC(O)CC2CCCC2)CC1
InChIInChI=1S/C12H21NO3/c14-10(7-9-3-1-2-4-9)8-13-12(5-6-12)11(15)16/h9-10,13-14H,1-8H2,(H,15,16)
InChIKeyKJUASPWIHWCZTR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.13
Rot. Bonds6

About 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid

1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 103159405) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid
PubChem CID103159405
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NCC(O)CC2CCCC2)CC1
InChIInChI=1S/C12H21NO3/c14-10(7-9-3-1-2-4-9)8-13-12(5-6-12)11(15)16/h9-10,13-14H,1-8H2,(H,15,16)
InChIKeyKJUASPWIHWCZTR-UHFFFAOYSA-N
XLogP1.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[(3-cyclopentyl-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 119132497
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid
CID 103161258
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
CID 103159342
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid (CID 103159405) is 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid is O=C(O)C1(NCC(O)CC2CCCC2)CC1.
What is the InChIKey of 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is KJUASPWIHWCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-10(7-9-3-1-2-4-9)8-13-12(5-6-12)11(15)16/h9-10,13-14H,1-8H2,(H,15,16).
What are the key properties of 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid?
1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-2-hydroxypropyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103159405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).