[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid

C15H24N2O3 — CID 68714573

IUPAC[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid
SMILESC[C@@](O)(CN)CN(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-15(20,11-16)12-17(14(18)19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,20H,5-6,9-12,16H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRDMWRYDQQYWYAY-OAHLLOKOSA-N
MW280.37 g/mol
LogP1.70
Rot. Bonds8

About [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid

[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid (PubChem CID 68714573) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid
PubChem CID68714573
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid
SMILESC[C@@](O)(CN)CN(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-15(20,11-16)12-17(14(18)19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,20H,5-6,9-12,16H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRDMWRYDQQYWYAY-OAHLLOKOSA-N
XLogP1.70
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.70
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-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
CID 110932562
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
1-amino-1-(4-phenylbutyl)urea
CID 170908979
5-phenylpentyl N-(5-aminopentyl)-N-(2-methylbutan-2-yl)carbamate
CID 67601776
N-(2-aminoethyl)-2,2-dimethyl-5-phenylpentanamide
CID 119382289
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
2-methyl-6-phenylhexan-2-ol
CID 12716611
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid?
The IUPAC name of [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid (CID 68714573) is [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid.
What is the SMILES notation for [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid?
The canonical SMILES for [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid is C[C@@](O)(CN)CN(CCCCc1ccccc1)C(=O)O.
What is the InChIKey of [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid?
The InChIKey is RDMWRYDQQYWYAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(20,11-16)12-17(14(18)19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,20H,5-6,9-12,16H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid?
[(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid has a molecular weight of 280.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-amino-2-hydroxy-2-methylpropyl]-(4-phenylbutyl)carbamic acid is sourced from PubChem (CID 68714573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).