(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 63843742

IUPAC(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)CN1CCCC1
InChIInChI=1S/C14H25N3O4/c1-10(8-16-4-2-3-5-16)7-15-14(21)17-9-11(18)6-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t10?,11-,12+/m1/s1
InChIKeyNPJXFOSMBWKUIB-SAIIYOCFSA-N
MW299.37 g/mol
LogP-0.05
Rot. Bonds5

About (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63843742) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63843742
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)CN1CCCC1
InChIInChI=1S/C14H25N3O4/c1-10(8-16-4-2-3-5-16)7-15-14(21)17-9-11(18)6-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t10?,11-,12+/m1/s1
InChIKeyNPJXFOSMBWKUIB-SAIIYOCFSA-N
XLogP-0.05
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000489
(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999398
(2S)-4-hydroxy-1-(2-methylsulfanylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104861481
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61200998
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
4-hydroxy-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994406
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 63843742) is (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)CN1CCCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NPJXFOSMBWKUIB-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(8-16-4-2-3-5-16)7-15-14(21)17-9-11(18)6-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t10?,11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.05, 5 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-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).