N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide

C9H16N2O3 — CID 79410043

IUPACN-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-7-3-11(4-8(7)13)5-9(14)10-6-1-2-6/h6-8,12-13H,1-5H2,(H,10,14)/t7-,8+
InChIKeyGZYUYNXHGMSAEW-OCAPTIKFSA-N
MW200.24 g/mol
LogP-1.70
Rot. Bonds3

About N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide

N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide (PubChem CID 79410043) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
PubChem CID79410043
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)NC1CC1
InChIInChI=1S/C9H16N2O3/c12-7-3-11(4-8(7)13)5-9(14)10-6-1-2-6/h6-8,12-13H,1-5H2,(H,10,14)/t7-,8+
InChIKeyGZYUYNXHGMSAEW-OCAPTIKFSA-N
XLogP-1.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
N-cyclopropyl-3-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106672855
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
CID 72926431
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethylacetamide
CID 106672092
2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide (CID 79410043) is N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide is O=C(CN1C[C@@H](O)[C@@H](O)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The InChIKey is GZYUYNXHGMSAEW-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-7-3-11(4-8(7)13)5-9(14)10-6-1-2-6/h6-8,12-13H,1-5H2,(H,10,14)/t7-,8+.
What are the key properties of N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide has a molecular weight of 200.24 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79410043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).