(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide

C13H26N2O2 — CID 113293910

IUPAC(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)11(14)12(17)15-8-13(9-16)6-4-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyNRNYTASWXIEZGO-DTIOYNMSSA-N
MW242.36 g/mol
LogP1.03
Rot. Bonds6

About (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide

(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide (PubChem CID 113293910) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
PubChem CID113293910
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)11(14)12(17)15-8-13(9-16)6-4-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyNRNYTASWXIEZGO-DTIOYNMSSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
CID 104873451
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide (CID 113293910) is (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC1(CO)CCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
The InChIKey is NRNYTASWXIEZGO-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-10(2)11(14)12(17)15-8-13(9-16)6-4-5-7-13/h10-11,16H,3-9,14H2,1-2H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide?
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 113293910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).