(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid

C14H20N2O3 — CID 103869019

IUPAC(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
SMILESCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-11(15)13(17)16-12(14(18)19)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyOCWFPYVSNSNSFH-PIJUOVFKSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds7

About (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid

(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid (PubChem CID 103869019) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
PubChem CID103869019
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
SMILESCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-11(15)13(17)16-12(14(18)19)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyOCWFPYVSNSNSFH-PIJUOVFKSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103870708
(2R)-2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 103870745
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]-3-phenylpropanoic acid
CID 11949370
4-amino-5-[[1-[(1-carboxy-2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 18220387
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 67702873
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 175692315
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid (CID 103869019) is (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid is CCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The InChIKey is OCWFPYVSNSNSFH-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-11(15)13(17)16-12(14(18)19)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid?
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 103869019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).