N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide

C13H24N2O3 — CID 110014350

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C1CCCC1O
InChIInChI=1S/C13H24N2O3/c1-4-8(2)14-12(17)9(3)15-13(18)10-6-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyPESFMGAPBMBQRH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.57
Rot. Bonds5

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014350) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014350
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCC(C)NC(=O)C(C)NC(=O)C1CCCC1O
InChIInChI=1S/C13H24N2O3/c1-4-8(2)14-12(17)9(3)15-13(18)10-6-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyPESFMGAPBMBQRH-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
N-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]cyclobutanecarboxamide
CID 71934065
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119756278
(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
CID 97095706
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
CID 64741063
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 110015652

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110014350) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide is CCC(C)NC(=O)C(C)NC(=O)C1CCCC1O.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is PESFMGAPBMBQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8(2)14-12(17)9(3)15-13(18)10-6-5-7-11(10)16/h8-11,16H,4-7H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).