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

C18H25NO4 — CID 122065107

IUPAC(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid
SMILESCCC(OC1CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H25NO4/c1-2-16(23-14-10-6-7-11-14)17(20)19-15(18(21)22)12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16?/m1/s1
InChIKeySLKMVLBPNRUBQS-AAFJCEBUSA-N
MW319.40 g/mol
LogP2.54
Rot. Bonds8

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

(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid (PubChem CID 122065107) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid
PubChem CID122065107
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid
SMILESCCC(OC1CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H25NO4/c1-2-16(23-14-10-6-7-11-14)17(20)19-15(18(21)22)12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16?/m1/s1
InChIKeySLKMVLBPNRUBQS-AAFJCEBUSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid
CID 122065074
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
CID 119528830
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2R)-2-(2-aminopentanoylamino)-3-phenylpropanoic acid
CID 103869019
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
(2S)-2-acetamido-3-phenylpropanoic acid;N-cyclohexylcyclohexanamine
CID 71411659
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid (CID 122065107) is (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid is CCC(OC1CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid?
The InChIKey is SLKMVLBPNRUBQS-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-16(23-14-10-6-7-11-14)17(20)19-15(18(21)22)12-13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16?/m1/s1.
What are the key properties of (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid?
(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid has a molecular weight of 319.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 122065107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).