(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide

C15H28N2O2 — CID 97046649

IUPAC(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
SMILESC[C@H](NC[C@@H]1CCCC[C@@H]1O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-11(15(19)17-13-7-3-4-8-13)16-10-12-6-2-5-9-14(12)18/h11-14,16,18H,2-10H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1
InChIKeyGXSYBPZPJKRURR-OBJOEFQTSA-N
MW268.40 g/mol
LogP1.57
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide

(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide (PubChem CID 97046649) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
PubChem CID97046649
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
SMILESC[C@H](NC[C@@H]1CCCC[C@@H]1O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-11(15(19)17-13-7-3-4-8-13)16-10-12-6-2-5-9-14(12)18/h11-14,16,18H,2-10H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1
InChIKeyGXSYBPZPJKRURR-OBJOEFQTSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-butyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913889
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
N-cyclohexyl-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490835
N-cyclopentyl-2-(2-hydroxypropylamino)propanamide
CID 43389370
3-[(2-hydroxycyclohexyl)methylamino]butanoic acid
CID 64911182
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
CID 115625436
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide (CID 97046649) is (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide is C[C@H](NC[C@@H]1CCCC[C@@H]1O)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide?
The InChIKey is GXSYBPZPJKRURR-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(15(19)17-13-7-3-4-8-13)16-10-12-6-2-5-9-14(12)18/h11-14,16,18H,2-10H2,1H3,(H,17,19)/t11-,12-,14-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide?
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide is sourced from PubChem (CID 97046649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).