2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid

C14H19ClN2O3 — CID 61186137

IUPAC2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
SMILESCC(C)C(C)NC(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(2)10(3)16-14(20)17(8-13(18)19)12-6-4-5-11(15)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMUHGLFVZAMRUPM-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.99
Rot. Bonds5

About 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid

2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid (PubChem CID 61186137) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
PubChem CID61186137
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
SMILESCC(C)C(C)NC(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(2)10(3)16-14(20)17(8-13(18)19)12-6-4-5-11(15)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyMUHGLFVZAMRUPM-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-N-(3-methylpentan-2-ylcarbamoyl)anilino]acetic acid
CID 61465565
2-[3-chloro-N-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]anilino]acetic acid
CID 61465880
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-chloroanilino)acetic acid
CID 61161477
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-[3-chloro-N-(3,4,4-trimethylpentanoyl)anilino]acetic acid
CID 63832859
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-[3-chloro-N-(prop-2-enylcarbamoyl)anilino]acetic acid
CID 61193527
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-[3-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159946
2-[3-chloro-N-[(2-methoxy-2-methylpropyl)carbamoyl]anilino]acetic acid
CID 104763947

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid (CID 61186137) is 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid is CC(C)C(C)NC(=O)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid?
The InChIKey is MUHGLFVZAMRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)10(3)16-14(20)17(8-13(18)19)12-6-4-5-11(15)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid?
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 61186137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).