(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide

C9H20N2O2 — CID 106161371

IUPAC(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)[C@@H](C)N
InChIInChI=1S/C9H20N2O2/c1-7(6-12)4-3-5-11-9(13)8(2)10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m1/s1
InChIKeyISNOWQUQKJOUSL-BRFYHDHCSA-N
MW188.27 g/mol
LogP-0.14
Rot. Bonds6

About (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide

(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 106161371) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID106161371
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)[C@@H](C)N
InChIInChI=1S/C9H20N2O2/c1-7(6-12)4-3-5-11-9(13)8(2)10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m1/s1
InChIKeyISNOWQUQKJOUSL-BRFYHDHCSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
2-amino-N-(5-hydroxy-4-methylpentyl)-2-thiophen-2-ylacetamide
CID 106161199
2-amino-N-[4-(2-aminopropanoylamino)-5-fluoropentyl]propanamide;dihydrobromide
CID 88794604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide (CID 106161371) is (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is ISNOWQUQKJOUSL-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(6-12)4-3-5-11-9(13)8(2)10/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide?
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 188.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 106161371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).