1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H20N2O5 — CID 113468851

IUPAC1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CCCO)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12(4-3-5-14)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,14-15H,2-7H2,1H3,(H,16,17)
InChIKeyPHSNQJXNSDSWKC-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.67
Rot. Bonds5

About 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 113468851) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID113468851
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(CCCO)C(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-12(4-3-5-14)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,14-15H,2-7H2,1H3,(H,16,17)
InChIKeyPHSNQJXNSDSWKC-UHFFFAOYSA-N
XLogP-0.67
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79386472
(2S)-1-[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 54998325
(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
(2S,4S)-1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107481789
(2S,4R)-1-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107481618
(2R,4R)-1-[2-cyanopropyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999882
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
(2R,4R)-4-hydroxy-1-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107481998
(2S)-4-hydroxy-1-[1-hydroxypropan-2-yl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104552967
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714639

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 113468851) is 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(CCCO)C(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is PHSNQJXNSDSWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-12(4-3-5-14)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,14-15H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113468851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).