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

C11H22N2O2 — CID 61174562

IUPAC(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyNIKPPDXTUAZYJI-RTBKNWGFSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 61174562) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID61174562
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyNIKPPDXTUAZYJI-RTBKNWGFSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219183
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (CID 61174562) is (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCC1CCCO1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is NIKPPDXTUAZYJI-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 61174562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).