(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide

C13H28N2O2 — CID 104903660

IUPAC(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)6-11(14)12(16)15-8-13(5,17)7-10(3)4/h9-11,17H,6-8,14H2,1-5H3,(H,15,16)/t11-,13?/m1/s1
InChIKeySAUXJECWKKCCSN-JTDNENJMSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds7

About (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide

(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide (PubChem CID 104903660) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
PubChem CID104903660
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)6-11(14)12(16)15-8-13(5,17)7-10(3)4/h9-11,17H,6-8,14H2,1-5H3,(H,15,16)/t11-,13?/m1/s1
InChIKeySAUXJECWKKCCSN-JTDNENJMSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2R)-2-amino-N-(2-hydroxy-2-methylpentyl)-4-methylpentanamide
CID 106292244
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
(2S)-2-amino-N-[2-(diethylamino)-2-methylpropyl]-4-methylpentanamide
CID 22689913
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide (CID 104903660) is (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide?
The InChIKey is SAUXJECWKKCCSN-JTDNENJMSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-9(2)6-11(14)12(16)15-8-13(5,17)7-10(3)4/h9-11,17H,6-8,14H2,1-5H3,(H,15,16)/t11-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide is sourced from PubChem (CID 104903660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).