(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide

C14H27N3O2 — CID 82961987

IUPAC(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)17-9-12(18)16-8-7-11-5-3-4-6-11/h10-11,13H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyNNTWVIMUVGMPQK-ZDUSSCGKSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961987) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
PubChem CID82961987
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCCC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)17-9-12(18)16-8-7-11-5-3-4-6-11/h10-11,13H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeyNNTWVIMUVGMPQK-ZDUSSCGKSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
CID 103884935
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82961708
(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide (CID 82961987) is (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)NCCC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is NNTWVIMUVGMPQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)13(15)14(19)17-9-12(18)16-8-7-11-5-3-4-6-11/h10-11,13H,3-9,15H2,1-2H3,(H,16,18)(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 269.39 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 (2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).