2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid

C14H18ClN3O3 — CID 64813048

IUPAC2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NC1CCCC1C(=O)O)c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O3/c1-18(12-6-5-9(15)7-16-12)8-13(19)17-11-4-2-3-10(11)14(20)21/h5-7,10-11H,2-4,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYAAHCKYPQIALMC-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.54
Rot. Bonds5

About 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64813048) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64813048
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(=O)NC1CCCC1C(=O)O)c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3O3/c1-18(12-6-5-9(15)7-16-12)8-13(19)17-11-4-2-3-10(11)14(20)21/h5-7,10-11H,2-4,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYAAHCKYPQIALMC-UHFFFAOYSA-N
XLogP1.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720121
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868265
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 167936696
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]-2-ethylbutanoic acid
CID 79813313
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766068
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
methyl 3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]propanoate
CID 47363961
2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64814516
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114648
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
CID 43540473

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid (CID 64813048) is 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid is CN(CC(=O)NC1CCCC1C(=O)O)c1ccc(Cl)cn1.
What is the InChIKey of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YAAHCKYPQIALMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-18(12-6-5-9(15)7-16-12)8-13(19)17-11-4-2-3-10(11)14(20)21/h5-7,10-11H,2-4,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).