(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 65242000

IUPAC(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCNC1(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O4/c1-15-14(5-3-2-4-6-14)8-12(18)16-9-10(17)7-11(16)13(19)20/h10-11,15,17H,2-9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyPXFIKIYITYMMJV-MNOVXSKESA-N
MW284.36 g/mol
LogP0.35
Rot. Bonds4

About (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 65242000) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID65242000
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCNC1(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCCC1
InChIInChI=1S/C14H24N2O4/c1-15-14(5-3-2-4-6-14)8-12(18)16-9-10(17)7-11(16)13(19)20/h10-11,15,17H,2-9H2,1H3,(H,19,20)/t10-,11+/m1/s1
InChIKeyPXFIKIYITYMMJV-MNOVXSKESA-N
XLogP0.35
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]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

(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4S)-4-hydroxy-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 64712518
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
4-hydroxy-1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157499
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-4-hydroxy-1-[(1-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104865776

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid (CID 65242000) is (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid is CNC1(CC(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCCCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PXFIKIYITYMMJV-MNOVXSKESA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15-14(5-3-2-4-6-14)8-12(18)16-9-10(17)7-11(16)13(19)20/h10-11,15,17H,2-9H2,1H3,(H,19,20)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65242000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).