(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide

C13H26N2O2 — CID 61435057

IUPAC(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCCO1
InChIInChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-17-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyCXUCONXLQXIEPO-PRWSFJOGSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide

(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 61435057) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID61435057
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCCO1
InChIInChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-17-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyCXUCONXLQXIEPO-PRWSFJOGSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
CID 107398412
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 61435299
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (CID 61435057) is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(CC)CC1CCCO1.
What is the InChIKey of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is CXUCONXLQXIEPO-PRWSFJOGSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-17-11/h10-12H,4-9,14H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 61435057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).