(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid

C10H13N3O4 — CID 152761772

IUPAC(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESN#CC1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)O)CC1
InChIInChI=1S/C10H13N3O4/c11-5-10(1-2-10)12-8(15)7-3-6(14)4-13(7)9(16)17/h6-7,14H,1-4H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyDKIKIKLVAWOVDR-RQJHMYQMSA-N
MW239.23 g/mol
LogP-0.73
Rot. Bonds2

About (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid

(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 152761772) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID152761772
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
SMILESN#CC1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)O)CC1
InChIInChI=1S/C10H13N3O4/c11-5-10(1-2-10)12-8(15)7-3-6(14)4-13(7)9(16)17/h6-7,14H,1-4H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1
InChIKeyDKIKIKLVAWOVDR-RQJHMYQMSA-N
XLogP-0.73
TPSA113.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-(2,6-dichlorophenyl)sulfanylpyrrolidine-1-carboxylic acid
CID 141278720
[(3S,5S)-5-[(1-cyanocyclopropyl)carbamoyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl] benzenesulfonate;(2S,4S)-N-(1-cyanocyclopropyl)-4-hydroxy-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 159137297
[5-[(1-cyanocyclopropyl)carbamoyl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methyl methanesulfonate
CID 123505983
(2S,4R)-2-[[(1S,2R)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 90874771
4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 91423276
ethyl (1R,2R,4S)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylate
CID 66918484
methyl (2S,4R)-4-(2-chlorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46947221
2-tert-butyl-4-[1-[(2S,4R)-4-(2-chlorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carbonyl]cyclopropyl]piperazine-1-carboxylic acid
CID 121281660
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55943787
(2R,4R)-4-hydroxy-1-[(1-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104865776
4-hydroxy-2-[(4-iodo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 21156500
trans-(1R,3R)-N-(1-cyanocyclopropyl)-3-formylcyclopentane-1-carboxamide
CID 89008391

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid (CID 152761772) is (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid is N#CC1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)O)CC1.
What is the InChIKey of (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is DKIKIKLVAWOVDR-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-5-10(1-2-10)12-8(15)7-3-6(14)4-13(7)9(16)17/h6-7,14H,1-4H2,(H,12,15)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid?
(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 152761772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).