N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide

C10H19NO2 — CID 59136325

IUPACN-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide
SMILESCC[C@@H](CO)NC(=O)C1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(7-12)11-10(13)8-5-3-4-6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeySKGMZRLOXBUEHM-VIFPVBQESA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide (PubChem CID 59136325) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide
PubChem CID59136325
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide
SMILESCC[C@@H](CO)NC(=O)C1CCCC1
InChIInChI=1S/C10H19NO2/c1-2-9(7-12)11-10(13)8-5-3-4-6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeySKGMZRLOXBUEHM-VIFPVBQESA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide (CID 59136325) is N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide is CC[C@@H](CO)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide?
The InChIKey is SKGMZRLOXBUEHM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9(7-12)11-10(13)8-5-3-4-6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 59136325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).