(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide

C10H22N2O2 — CID 79023147

IUPAC(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
SMILESCCCC(COC)NC(=O)[C@@H](N)CC
InChIInChI=1S/C10H22N2O2/c1-4-6-8(7-14-3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyRBOQEPMTOSSHIF-GKAPJAKFSA-N
MW202.30 g/mol
LogP0.65
Rot. Bonds7

About (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide

(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide (PubChem CID 79023147) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
PubChem CID79023147
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
SMILESCCCC(COC)NC(=O)[C@@H](N)CC
InChIInChI=1S/C10H22N2O2/c1-4-6-8(7-14-3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyRBOQEPMTOSSHIF-GKAPJAKFSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
CID 106161059
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide (CID 79023147) is (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide is CCCC(COC)NC(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide?
The InChIKey is RBOQEPMTOSSHIF-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-8(7-14-3)12-10(13)9(11)5-2/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide?
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide has a molecular weight of 202.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide is sourced from PubChem (CID 79023147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).