3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide

C12H24N2O2 — CID 103158365

IUPAC3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
SMILESCC(CC(N)=O)NCC(O)CC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-9(6-12(13)16)14-8-11(15)7-10-4-2-3-5-10/h9-11,14-15H,2-8H2,1H3,(H2,13,16)
InChIKeyNDFODZXQZDJSSC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds7

About 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide

3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide (PubChem CID 103158365) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide.

Molecular Properties

Compound Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
PubChem CID103158365
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
SMILESCC(CC(N)=O)NCC(O)CC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-9(6-12(13)16)14-8-11(15)7-10-4-2-3-5-10/h9-11,14-15H,2-8H2,1H3,(H2,13,16)
InChIKeyNDFODZXQZDJSSC-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethylamino)butanamide
CID 115676578
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
3-(2-cyclobutylethylamino)butanamide
CID 115893474
1-cyclopentyl-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 103157536
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-cyclopentyl-3-(4-ethylsulfanylbutan-2-ylamino)propan-2-ol
CID 103158383
3-(2-methylpropylamino)butanamide
CID 90751378
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
2-amino-N-(1-cyclopropylpropan-2-yl)butanediamide;hydrochloride
CID 119957385

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide?
The IUPAC name of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide (CID 103158365) is 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide.
What is the SMILES notation for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide?
The canonical SMILES for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide is CC(CC(N)=O)NCC(O)CC1CCCC1.
What is the InChIKey of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide?
The InChIKey is NDFODZXQZDJSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(6-12(13)16)14-8-11(15)7-10-4-2-3-5-10/h9-11,14-15H,2-8H2,1H3,(H2,13,16).
What are the key properties of 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide?
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide is sourced from PubChem (CID 103158365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).