(2S)-2-amino-3-methylbutanoic acid;N-propylaniline

C14H24N2O2 — CID 67669423

IUPAC(2S)-2-amino-3-methylbutanoic acid;N-propylaniline
SMILESCC(C)[C@H](N)C(=O)O.CCCNc1ccccc1
InChIInChI=1S/C9H13N.C5H11NO2/c1-2-8-10-9-6-4-3-5-7-9;1-3(2)4(6)5(7)8/h3-7,10H,2,8H2,1H3;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyYZLBIVACEYCLAW-VWMHFEHESA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds5

About (2S)-2-amino-3-methylbutanoic acid;N-propylaniline

(2S)-2-amino-3-methylbutanoic acid;N-propylaniline (PubChem CID 67669423) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;N-propylaniline.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;N-propylaniline
PubChem CID67669423
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;N-propylaniline
SMILESCC(C)[C@H](N)C(=O)O.CCCNc1ccccc1
InChIInChI=1S/C9H13N.C5H11NO2/c1-2-8-10-9-6-4-3-5-7-9;1-3(2)4(6)5(7)8/h3-7,10H,2,8H2,1H3;3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyYZLBIVACEYCLAW-VWMHFEHESA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
CID 70169116
N-propylaniline
CID 12153
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
2-anilinoethyl 2-methylpropanoate
CID 20975992
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
(2S)-2-(3-anilinopropylamino)-3-methylbutanoic acid
CID 54213846
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;2-hydroxy-2-phenylacetic acid
CID 67781255
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-phenylethanamine;N-propylaniline
CID 174836088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;N-propylaniline?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;N-propylaniline (CID 67669423) is (2S)-2-amino-3-methylbutanoic acid;N-propylaniline.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;N-propylaniline?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;N-propylaniline is CC(C)[C@H](N)C(=O)O.CCCNc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;N-propylaniline?
The InChIKey is YZLBIVACEYCLAW-VWMHFEHESA-N. The full InChI is InChI=1S/C9H13N.C5H11NO2/c1-2-8-10-9-6-4-3-5-7-9;1-3(2)4(6)5(7)8/h3-7,10H,2,8H2,1H3;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;N-propylaniline?
(2S)-2-amino-3-methylbutanoic acid;N-propylaniline has a molecular weight of 252.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;N-propylaniline is sourced from PubChem (CID 67669423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).