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

C12H24N2O2 — CID 61155055

IUPAC(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-16-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,10?,11-/m0/s1
InChIKeyBNXJREBCWJHMGH-PMUOWJKOSA-N
MW228.34 g/mol
LogP1.04
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide (PubChem CID 61155055) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
PubChem CID61155055
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-16-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,10?,11-/m0/s1
InChIKeyBNXJREBCWJHMGH-PMUOWJKOSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(oxolan-2-yl)ethyl]butanediamide
CID 60848182
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219183
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
2-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 76924918
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111454546
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide (CID 61155055) is (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)C1CCCO1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide?
The InChIKey is BNXJREBCWJHMGH-PMUOWJKOSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-16-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,10?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.04, 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-(oxolan-2-yl)ethyl]pentanamide is sourced from PubChem (CID 61155055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).