1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 114146131

IUPAC1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC1CCC(O)C1
InChIInChI=1S/C14H23NO4/c16-11-4-3-10(7-11)9-15-12(17)8-14(13(18)19)5-1-2-6-14/h10-11,16H,1-9H2,(H,15,17)(H,18,19)
InChIKeyHCSJIXQFKDSGPT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 114146131) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID114146131
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC1CCC(O)C1
InChIInChI=1S/C14H23NO4/c16-11-4-3-10(7-11)9-15-12(17)8-14(13(18)19)5-1-2-6-14/h10-11,16H,1-9H2,(H,15,17)(H,18,19)
InChIKeyHCSJIXQFKDSGPT-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63243934
N-[(3-hydroxycyclopentyl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106133987
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
1-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60940856
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
2-(1-aminocyclopentyl)-N-(cyclopropylmethyl)acetamide
CID 64685708
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 114146131) is 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCC1CCC(O)C1.
What is the InChIKey of 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is HCSJIXQFKDSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-11-4-3-10(7-11)9-15-12(17)8-14(13(18)19)5-1-2-6-14/h10-11,16H,1-9H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114146131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).