2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide

C8H15ClN2O2 — CID 167969156

IUPAC2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
SMILESO=C(CCl)NCCN1CC[C@H](O)C1
InChIInChI=1S/C8H15ClN2O2/c9-5-8(13)10-2-4-11-3-1-7(12)6-11/h7,12H,1-6H2,(H,10,13)/t7-/m0/s1
InChIKeyPAGOYOPNNYWWEK-ZETCQYMHSA-N
MW206.67 g/mol
LogP-0.59
Rot. Bonds4

About 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide

2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167969156) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
PubChem CID167969156
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
SMILESO=C(CCl)NCCN1CC[C@H](O)C1
InChIInChI=1S/C8H15ClN2O2/c9-5-8(13)10-2-4-11-3-1-7(12)6-11/h7,12H,1-6H2,(H,10,13)/t7-/m0/s1
InChIKeyPAGOYOPNNYWWEK-ZETCQYMHSA-N
XLogP-0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
N-(2-hydroxyethyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62943585
3-chloro-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylidenepent-3-enamide
CID 123546278
(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
CID 130693205
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255
2-chloro-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4,5-dihydrothiepine-3-carboxamide
CID 123618228
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
3-bromo-2,5-difluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]benzamide
CID 136586692
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide (CID 167969156) is 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide is O=C(CCl)NCCN1CC[C@H](O)C1.
What is the InChIKey of 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is PAGOYOPNNYWWEK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c9-5-8(13)10-2-4-11-3-1-7(12)6-11/h7,12H,1-6H2,(H,10,13)/t7-/m0/s1.
What are the key properties of 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide?
2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 206.67 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167969156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).