2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid

C11H17NO3 — CID 79284874

IUPAC2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC1(O)CCCC1
InChIInChI=1S/C11H17NO3/c1-2-7-12(8-10(13)14)9-11(15)5-3-4-6-11/h1,15H,3-9H2,(H,13,14)
InChIKeyNXWNBPJITJYICX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.31
Rot. Bonds5

About 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid

2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid (PubChem CID 79284874) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid
PubChem CID79284874
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC1(O)CCCC1
InChIInChI=1S/C11H17NO3/c1-2-7-12(8-10(13)14)9-11(15)5-3-4-6-11/h1,15H,3-9H2,(H,13,14)
InChIKeyNXWNBPJITJYICX-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
2-[3-cyanopropyl(prop-2-ynyl)amino]acetic acid
CID 79283378
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995
2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
CID 79274217
N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
CID 159549662
CID 159549662
1-prop-2-ynylcyclododecan-1-ol
CID 134093446
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
CID 65213036
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704
1-prop-2-ynylcyclobutan-1-ol
CID 22129000

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid (CID 79284874) is 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid?
The InChIKey is NXWNBPJITJYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-7-12(8-10(13)14)9-11(15)5-3-4-6-11/h1,15H,3-9H2,(H,13,14).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid?
2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).