(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid

C14H20N2O3 — CID 104902011

IUPAC(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
SMILESCC(N)C(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(10(2)15)13(17)16-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t9?,10?,12-/m1/s1
InChIKeyFJZFYNLFCOAAEO-RTYFJBAXSA-N
MW264.32 g/mol
LogP0.78
Rot. Bonds6

About (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid

(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid (PubChem CID 104902011) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
PubChem CID104902011
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
SMILESCC(N)C(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(10(2)15)13(17)16-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t9?,10?,12-/m1/s1
InChIKeyFJZFYNLFCOAAEO-RTYFJBAXSA-N
XLogP0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
2-[[(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 67445948
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid;urea
CID 174908772
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
CID 11949370
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 18224165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid (CID 104902011) is (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid is CC(N)C(C)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid?
The InChIKey is FJZFYNLFCOAAEO-RTYFJBAXSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(10(2)15)13(17)16-12(14(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t9?,10?,12-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).