N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide

C11H18N2O2 — CID 106134001

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-2-5-12-8-11(15)13-7-9-3-4-10(14)6-9/h1,9-10,12,14H,3-8H2,(H,13,15)
InChIKeyZTQFNZBSAVWCMY-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.51
Rot. Bonds5

About N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide

N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 106134001) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID106134001
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-2-5-12-8-11(15)13-7-9-3-4-10(14)6-9/h1,9-10,12,14H,3-8H2,(H,13,15)
InChIKeyZTQFNZBSAVWCMY-UHFFFAOYSA-N
XLogP-0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79272351
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767
2-[acetyl(methyl)amino]-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280418
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600284
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide (CID 106134001) is N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is ZTQFNZBSAVWCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-5-12-8-11(15)13-7-9-3-4-10(14)6-9/h1,9-10,12,14H,3-8H2,(H,13,15).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 210.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 106134001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).