(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine

C15H24N2O2 — CID 67230654

IUPAC(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
SMILESCC(C)[C@H](N)C(=O)O.c1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H13N.C5H11NO2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-3(2)4(6)5(7)8/h1-3,6-7H,4-5,8-9H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyJIHIHOSCKYADFJ-VWMHFEHESA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds3

About (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine

(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine (PubChem CID 67230654) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
PubChem CID67230654
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine
SMILESCC(C)[C@H](N)C(=O)O.c1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H13N.C5H11NO2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-3(2)4(6)5(7)8/h1-3,6-7H,4-5,8-9H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyJIHIHOSCKYADFJ-VWMHFEHESA-N
XLogP2.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 161473217
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2-amino-3-methylbutanoic acid;benzenesulfonic acid
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butanamide;1-phenylpiperidine
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3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
1-phenylpiperidine;phosphenous acid
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(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
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2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
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2-(4-pyrrolidin-1-ylanilino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine (CID 67230654) is (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine is CC(C)[C@H](N)C(=O)O.c1ccc(N2CCCC2)cc1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine?
The InChIKey is JIHIHOSCKYADFJ-VWMHFEHESA-N. The full InChI is InChI=1S/C10H13N.C5H11NO2/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-3(2)4(6)5(7)8/h1-3,6-7H,4-5,8-9H2;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine?
(2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine has a molecular weight of 264.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;1-phenylpyrrolidine is sourced from PubChem (CID 67230654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).