[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid

C15H23NO4 — CID 67412266

IUPAC[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid
SMILESCC(C)(C)C(OCc1ccccc1)[C@@H](CO)NC(=O)O
InChIInChI=1S/C15H23NO4/c1-15(2,3)13(12(9-17)16-14(18)19)20-10-11-7-5-4-6-8-11/h4-8,12-13,16-17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m1/s1
InChIKeyHCKAUDSKXICNOO-PZORYLMUSA-N
MW281.35 g/mol
LogP2.25
Rot. Bonds6

About [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid

[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid (PubChem CID 67412266) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid
PubChem CID67412266
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid
SMILESCC(C)(C)C(OCc1ccccc1)[C@@H](CO)NC(=O)O
InChIInChI=1S/C15H23NO4/c1-15(2,3)13(12(9-17)16-14(18)19)20-10-11-7-5-4-6-8-11/h4-8,12-13,16-17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m1/s1
InChIKeyHCKAUDSKXICNOO-PZORYLMUSA-N
XLogP2.25
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoate
CID 102008940
tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 130647619
(2R,3R)-2-hydroxy-4,4-dimethyl-3-phenylmethoxypentanenitrile
CID 101030359
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
[(2S,5S)-1-hydroxy-6,6-dimethyl-5-(phenylmethoxycarbonylamino)heptan-2-yl]carbamic acid
CID 86339972
benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 12968114
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyacetic acid
CID 13391120
(2R,3S)-4,4-dimethyl-3-phenylmethoxyhex-5-ene-1,2-diol
CID 165415763
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid (CID 67412266) is [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid is CC(C)(C)C(OCc1ccccc1)[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid?
The InChIKey is HCKAUDSKXICNOO-PZORYLMUSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)13(12(9-17)16-14(18)19)20-10-11-7-5-4-6-8-11/h4-8,12-13,16-17H,9-10H2,1-3H3,(H,18,19)/t12-,13?/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid?
[(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid has a molecular weight of 281.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4,4-dimethyl-3-phenylmethoxypentan-2-yl]carbamic acid is sourced from PubChem (CID 67412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).