N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C9H17N3O3 — CID 78942125

IUPACN-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c10-9(15)11-8(14)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2,(H3,10,11,14,15)/t7-/m0/s1
InChIKeyHVSOGWWAAIIPSN-ZETCQYMHSA-N
MW215.25 g/mol
LogP-0.97
Rot. Bonds4

About N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 78942125) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID78942125
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c10-9(15)11-8(14)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2,(H3,10,11,14,15)/t7-/m0/s1
InChIKeyHVSOGWWAAIIPSN-ZETCQYMHSA-N
XLogP-0.97
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
N-carbamoyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 61176660
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
CID 119925915
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 78942125) is N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is NC(=O)NC(=O)CCN1CCC[C@H]1CO.
What is the InChIKey of N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is HVSOGWWAAIIPSN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-9(15)11-8(14)3-5-12-4-1-2-7(12)6-13/h7,13H,1-6H2,(H3,10,11,14,15)/t7-/m0/s1.
What are the key properties of N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 78942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).