(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid

C17H25NO2 — CID 122037865

IUPAC(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
SMILESCC(CC1CCCC1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-13(11-14-9-5-6-10-14)18-16(17(19)20)12-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyJUQIRQBWBRTRFF-FQNRMIAFSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds7

About (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid

(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid (PubChem CID 122037865) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
PubChem CID122037865
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
SMILESCC(CC1CCCC1)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25NO2/c1-13(11-14-9-5-6-10-14)18-16(17(19)20)12-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyJUQIRQBWBRTRFF-FQNRMIAFSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-cyclohexylbutan-2-ylamino)-3-phenylpropanoic acid
CID 122037642
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
(2S)-2-(5-methylhexan-2-ylamino)-3-phenylpropanoic acid
CID 122037626
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
(2S)-2-(6-methylhept-5-en-2-ylamino)-3-phenylpropanoic acid
CID 122037703
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid (CID 122037865) is (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid is CC(CC1CCCC1)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid?
The InChIKey is JUQIRQBWBRTRFF-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(11-14-9-5-6-10-14)18-16(17(19)20)12-15-7-3-2-4-8-15/h2-4,7-8,13-14,16,18H,5-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1.
What are the key properties of (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid?
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 122037865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).