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

C15H22N2O3 — CID 103868984

IUPAC(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
SMILESCCC(N)(CC)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-15(16,4-2)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyPEIJMEKNVNSNNY-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds7

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

(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid (PubChem CID 103868984) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
PubChem CID103868984
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid
SMILESCCC(N)(CC)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-15(16,4-2)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyPEIJMEKNVNSNNY-GFCCVEGCSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 62836653
2-(3-methylpentan-3-ylcarbamoylamino)-3-phenylpropanoic acid
CID 106330586
2-[(2,2-difluoro-3-methoxypropanoyl)amino]-3-phenylpropanoic acid
CID 167835410
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 72975437
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid (CID 103868984) is (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid is CCC(N)(CC)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid?
The InChIKey is PEIJMEKNVNSNNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-15(16,4-2)14(20)17-12(13(18)19)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-ethylbutanoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 103868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).