(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide

C12H24N2O3 — CID 59921664

IUPAC(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H]1CCCOC[C@H]1O
InChIInChI=1S/C12H24N2O3/c1-8(2)6-9(13)12(16)14-10-4-3-5-17-7-11(10)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyWVMOPWXSIXWYHH-GMTAPVOTSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds4

About (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide

(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide (PubChem CID 59921664) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
PubChem CID59921664
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@@H]1CCCOC[C@H]1O
InChIInChI=1S/C12H24N2O3/c1-8(2)6-9(13)12(16)14-10-4-3-5-17-7-11(10)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyWVMOPWXSIXWYHH-GMTAPVOTSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-amino-N-(oxan-3-yl)butanamide
CID 63361393
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-(1-benzyl-3-hydroxyazepan-4-yl)-4-methylpentanamide
CID 69145893
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide (CID 59921664) is (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)N[C@@H]1CCCOC[C@H]1O.
What is the InChIKey of (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide?
The InChIKey is WVMOPWXSIXWYHH-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)6-9(13)12(16)14-10-4-3-5-17-7-11(10)15/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide?
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide is sourced from PubChem (CID 59921664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).