N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide

C11H22N2O2 — CID 70906725

IUPACN-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](N)CNC(=O)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-9(12)7-13-11(14)10-4-3-5-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyHOAAELUFJKFYNU-RGURZIINSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

About N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide

N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide (PubChem CID 70906725) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
PubChem CID70906725
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
SMILESCC(C)C[C@H](N)CNC(=O)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-9(12)7-13-11(14)10-4-3-5-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyHOAAELUFJKFYNU-RGURZIINSA-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)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide?
The IUPAC name of N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide (CID 70906725) is N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide is CC(C)C[C@H](N)CNC(=O)C1CCCO1.
What is the InChIKey of N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide?
The InChIKey is HOAAELUFJKFYNU-RGURZIINSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-9(12)7-13-11(14)10-4-3-5-15-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide?
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide 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 N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide is sourced from PubChem (CID 70906725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).