(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

C19H32N2O5 — CID 10642798

IUPAC(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h13-15H,4-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15+/m1/s1
InChIKeyWTZRQXKWLUKTJH-CABCVRRESA-N
MW368.47 g/mol
LogP2.93
Rot. Bonds5

About (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10642798) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10642798
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h13-15H,4-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15+/m1/s1
InChIKeyWTZRQXKWLUKTJH-CABCVRRESA-N
XLogP2.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

H-Leu-Lys-Pro-OH
CID 10473477
(2S)-1-[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 10272260
(2S)-2-(1-tert-butoxycarbonyl-4-piperidyl)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]acetic acid
CID 6481508
(2S,3R)-2-((1S,4S)-4-(((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)methyl)cyclohexanecarboxamido)-3-methylpentanoic acid
CID 16403592
N-{[trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexyl]carbonyl}-L-methionine
CID 16404004
trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexanecarboxylic acid
CID 667021
N-{[trans-4-({[1-(tert-butoxycarbonyl)-L-prolyl]amino}methyl)cyclohexyl]carbonyl}-L-alanine
CID 7094857
(R)-2-((1S,4R)-4-(((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)methyl)cyclohexanecarboxamido)-4-methylpentanoic acid
CID 16405294
(2S,4S)-4-amino-1-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 44429278
Lisinopril specified impurity F
CID 71587933
Perindopril tert-Butylamine salt
CID 17571789
1-({1-[2-(2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-cyclopropanecarboxylic acid
CID 504168

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid (CID 10642798) is (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WTZRQXKWLUKTJH-CABCVRRESA-N. The full InChI is InChI=1S/C19H32N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h13-15H,4-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 368.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10642798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).