(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide

C10H22N2O3 — CID 106161059

IUPAC(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC(CCO)COC
InChIInChI=1S/C10H22N2O3/c1-3-4-9(11)10(14)12-8(5-6-13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyGXADDQUQPQDTGC-GKAPJAKFSA-N
MW218.30 g/mol
LogP-0.37
Rot. Bonds8

About (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide

(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide (PubChem CID 106161059) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
PubChem CID106161059
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC(CCO)COC
InChIInChI=1S/C10H22N2O3/c1-3-4-9(11)10(14)12-8(5-6-13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyGXADDQUQPQDTGC-GKAPJAKFSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106161090
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide (CID 106161059) is (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide is CCC[C@H](N)C(=O)NC(CCO)COC.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide?
The InChIKey is GXADDQUQPQDTGC-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-4-9(11)10(14)12-8(5-6-13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide?
(2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide has a molecular weight of 218.30 g/mol, XLogP of -0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)pentanamide is sourced from PubChem (CID 106161059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).