[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid

C17H24N2O3 — CID 69112709

IUPAC[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid
SMILESCn1c(C[C@](CO)(NC(=O)O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-16(2,3)17(11-20,18-15(21)22)10-13-9-12-7-5-6-8-14(12)19(13)4/h5-9,18,20H,10-11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyOTYAACQYGITJQR-QGZVFWFLSA-N
MW304.39 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid

[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid (PubChem CID 69112709) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid
PubChem CID69112709
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid
SMILESCn1c(C[C@](CO)(NC(=O)O)C(C)(C)C)cc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-16(2,3)17(11-20,18-15(21)22)10-13-9-12-7-5-6-8-14(12)19(13)4/h5-9,18,20H,10-11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyOTYAACQYGITJQR-QGZVFWFLSA-N
XLogP2.77
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-(1-methylindol-2-yl)acetamide
CID 171979997
[(2R)-2-benzyl-1-hydroxy-3,3-dimethylbutan-2-yl]carbamic acid
CID 68901550
[(2S)-1-(3-fluorophenyl)-2-(hydroxymethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 67069204
acetic acid;2-ethyl-1-methylindole
CID 70581856
N-methyl-2-(1-methylindol-2-yl)acetamide
CID 139935396
[(2R)-1-hydroxy-3,3-dimethyl-2-(pyridin-4-ylmethyl)butan-2-yl]carbamic acid
CID 69107403
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 69102654
ditert-butyl 2-[(1-methylindol-2-yl)methyl]-2-prop-2-enylpropanedioate
CID 101402233
dimethyl 2-buta-2,3-dienyl-2-[(1-methylindol-2-yl)methyl]propanedioate
CID 101403424
dimethyl 2-[(1-methylindol-2-yl)methyl]-2-(4-methylpenta-2,3-dienyl)propanedioate
CID 102082702
dimethyl 2-but-3-enyl-2-[(1-methylindol-2-yl)methyl]propanedioate
CID 101402235

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid (CID 69112709) is [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid is Cn1c(C[C@](CO)(NC(=O)O)C(C)(C)C)cc2ccccc21.
What is the InChIKey of [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid?
The InChIKey is OTYAACQYGITJQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2,3)17(11-20,18-15(21)22)10-13-9-12-7-5-6-8-14(12)19(13)4/h5-9,18,20H,10-11H2,1-4H3,(H,21,22)/t17-/m1/s1.
What are the key properties of [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid?
[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid has a molecular weight of 304.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid is sourced from PubChem (CID 69112709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).