2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid

C14H19ClN2O4 — CID 61184596

IUPAC2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-3-4-5-10(13(18)19)16-14(20)17-11-8-9(15)6-7-12(11)21-2/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyHXJXGEAXWXIKJQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.11
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid

2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid (PubChem CID 61184596) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
PubChem CID61184596
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)Nc1cc(Cl)ccc1OC)C(=O)O
InChIInChI=1S/C14H19ClN2O4/c1-3-4-5-10(13(18)19)16-14(20)17-11-8-9(15)6-7-12(11)21-2/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyHXJXGEAXWXIKJQ-UHFFFAOYSA-N
XLogP3.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61184240
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
2-[(2-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 61196684
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]hexanoic acid
CID 107146033
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid (CID 61184596) is 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid is CCCCC(NC(=O)Nc1cc(Cl)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid?
The InChIKey is HXJXGEAXWXIKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-4-5-10(13(18)19)16-14(20)17-11-8-9(15)6-7-12(11)21-2/h6-8,10H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid?
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid has a molecular weight of 314.77 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61184596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).