(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid

C28H36N2O5 — CID 121482095

IUPAC(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid
SMILESCC(C)c1cc(C(=O)N2CCC(N[C@](C(=O)O)(c3ccccc3)C3CCCC3)CC2)c(O)cc1O
InChIInChI=1S/C28H36N2O5/c1-18(2)22-16-23(25(32)17-24(22)31)26(33)30-14-12-21(13-15-30)29-28(27(34)35,20-10-6-7-11-20)19-8-4-3-5-9-19/h3-5,8-9,16-18,20-21,29,31-32H,6-7,10-15H2,1-2H3,(H,34,35)/t28-/m1/s1
InChIKeyPGLZJXGGBOYAGR-MUUNZHRXSA-N
MW480.61 g/mol
LogP4.59
Rot. Bonds7

About (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid

(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid (PubChem CID 121482095) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid
PubChem CID121482095
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid
SMILESCC(C)c1cc(C(=O)N2CCC(N[C@](C(=O)O)(c3ccccc3)C3CCCC3)CC2)c(O)cc1O
InChIInChI=1S/C28H36N2O5/c1-18(2)22-16-23(25(32)17-24(22)31)26(33)30-14-12-21(13-15-30)29-28(27(34)35,20-10-6-7-11-20)19-8-4-3-5-9-19/h3-5,8-9,16-18,20-21,29,31-32H,6-7,10-15H2,1-2H3,(H,34,35)/t28-/m1/s1
InChIKeyPGLZJXGGBOYAGR-MUUNZHRXSA-N
XLogP4.59
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-3-phenylpropanoate
CID 54766503
cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate
CID 54766355
(2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)pyrrolidin-3-yl]amino]-4-methylpentanoic acid
CID 121482097
[4-(cyclohexylamino)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 58245989
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
(5-tert-butyl-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 176552490
(1-cyclopentyl-2-methylpropan-2-yl) (2S)-2-[2-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]ethylamino]-3-hydroxypropanoate
CID 89497015
1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
CID 47070929
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
[4-(1-bromoethyl)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 106839238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid (CID 121482095) is (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid is CC(C)c1cc(C(=O)N2CCC(N[C@](C(=O)O)(c3ccccc3)C3CCCC3)CC2)c(O)cc1O.
What is the InChIKey of (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid?
The InChIKey is PGLZJXGGBOYAGR-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-18(2)22-16-23(25(32)17-24(22)31)26(33)30-14-12-21(13-15-30)29-28(27(34)35,20-10-6-7-11-20)19-8-4-3-5-9-19/h3-5,8-9,16-18,20-21,29,31-32H,6-7,10-15H2,1-2H3,(H,34,35)/t28-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid?
(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid has a molecular weight of 480.61 g/mol, XLogP of 4.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid is sourced from PubChem (CID 121482095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).