(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide

C13H26N2O2 — CID 103833265

IUPAC(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(16)15-10(3)11-5-7-17-8-6-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,12-/m0/s1
InChIKeyJMEKWRONEFBHBC-VULFSTHESA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide (PubChem CID 103833265) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
PubChem CID103833265
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(16)15-10(3)11-5-7-17-8-6-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,12-/m0/s1
InChIKeyJMEKWRONEFBHBC-VULFSTHESA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
CID 103950949
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide (CID 103833265) is (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)C1CCOCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide?
The InChIKey is JMEKWRONEFBHBC-VULFSTHESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(16)15-10(3)11-5-7-17-8-6-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide is sourced from PubChem (CID 103833265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).