(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C10H16N2O4 — CID 63844255

IUPAC(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CC1NC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-5-2-7(5)11-10(16)12-4-6(13)3-8(12)9(14)15/h5-8,13H,2-4H2,1H3,(H,11,16)(H,14,15)/t5?,6-,7?,8+/m1/s1
InChIKeyUILISENSKQHUSK-ZPFXWGDGSA-N
MW228.25 g/mol
LogP-0.38
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 63844255) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID63844255
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CC1NC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O4/c1-5-2-7(5)11-10(16)12-4-6(13)3-8(12)9(14)15/h5-8,13H,2-4H2,1H3,(H,11,16)(H,14,15)/t5?,6-,7?,8+/m1/s1
InChIKeyUILISENSKQHUSK-ZPFXWGDGSA-N
XLogP-0.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64922451
(2R,4R)-4-hydroxy-1-[(2-methylcycloheptyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79013678
(2R,4R)-1-[(2,3-dimethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000169
(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241207
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
(2S)-4-hydroxy-1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80719933

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 63844255) is (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CC1NC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UILISENSKQHUSK-ZPFXWGDGSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5-2-7(5)11-10(16)12-4-6(13)3-8(12)9(14)15/h5-8,13H,2-4H2,1H3,(H,11,16)(H,14,15)/t5?,6-,7?,8+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63844255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).