2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid

C14H17ClN2O3 — CID 61160330

IUPAC2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid
SMILESNC1(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)17(9-12(18)19)13(20)14(16)7-1-2-8-14/h3-6H,1-2,7-9,16H2,(H,18,19)
InChIKeyHGYGOUPBVHXBNL-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.03
Rot. Bonds4

About 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid

2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid (PubChem CID 61160330) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid
PubChem CID61160330
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid
SMILESNC1(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)17(9-12(18)19)13(20)14(16)7-1-2-8-14/h3-6H,1-2,7-9,16H2,(H,18,19)
InChIKeyHGYGOUPBVHXBNL-UHFFFAOYSA-N
XLogP2.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
3-amino-4-[N-(carboxymethyl)-4-chloroanilino]-4-oxobutanoic acid
CID 64894572
2-[N-(6-aminohexanoyl)-4-chloroanilino]acetic acid
CID 61162256
2-[4-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159949
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-4-chloroanilino)acetic acid
CID 65269874
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187

Frequently Asked Questions

What is the IUPAC name of 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid (CID 61160330) is 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid is NC1(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid?
The InChIKey is HGYGOUPBVHXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)17(9-12(18)19)13(20)14(16)7-1-2-8-14/h3-6H,1-2,7-9,16H2,(H,18,19).
What are the key properties of 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid?
2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(1-aminocyclopentanecarbonyl)-4-chloroanilino)acetic acid is sourced from PubChem (CID 61160330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).