(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 114241207

IUPAC(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1COCCC1NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-6-19-3-2-9(7)13-12(18)14-5-8(15)4-10(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8?,9?,10-/m0/s1
InChIKeyMHWKLRSVXKGMHO-VVIYDGDNSA-N
MW272.30 g/mol
LogP-0.36
Rot. Bonds2

About (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 114241207) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID114241207
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1COCCC1NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-6-19-3-2-9(7)13-12(18)14-5-8(15)4-10(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8?,9?,10-/m0/s1
InChIKeyMHWKLRSVXKGMHO-VVIYDGDNSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]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,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
3-methyl-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241224
(2S,4R)-4-hydroxy-1-(oxan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843068
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
(2S)-4-hydroxy-1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80719933
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 114241207) is (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1COCCC1NC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MHWKLRSVXKGMHO-VVIYDGDNSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-6-19-3-2-9(7)13-12(18)14-5-8(15)4-10(14)11(16)17/h7-10,15H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8?,9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).