2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid

C14H18ClNO3 — CID 60828054

IUPAC2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10(2)16(9-14(18)19)13(17)8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyVMCJWVFVILDYDF-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.59
Rot. Bonds6

About 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid

2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid (PubChem CID 60828054) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
PubChem CID60828054
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-3-10(2)16(9-14(18)19)13(17)8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyVMCJWVFVILDYDF-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
CID 119955311
3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
2-[butan-2-yl-[2-(2-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 60829065
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
2-[butan-2-yl-[3-(2-chlorophenyl)sulfanylpropanoyl]amino]acetic acid
CID 60828717
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
2-[3-(2-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 119954973
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
2-[[2-(4-bromophenyl)acetyl]-butan-2-ylamino]acetic acid
CID 54925961
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid (CID 60828054) is 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid?
The InChIKey is VMCJWVFVILDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-10(2)16(9-14(18)19)13(17)8-11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid has a molecular weight of 283.75 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 60828054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).