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

C14H18ClNO4 — CID 60829928

IUPAC2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-3-10(2)16(8-14(18)19)13(17)9-20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyCKMCGQQFKLBDKM-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.43
Rot. Bonds7

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

2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid (PubChem CID 60829928) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
PubChem CID60829928
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H18ClNO4/c1-3-10(2)16(8-14(18)19)13(17)9-20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyCKMCGQQFKLBDKM-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
2-[butan-2-yl-[2-(2-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 60829065
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
2-[butan-2-yl-[3-(2-chlorophenyl)sulfanylpropanoyl]amino]acetic acid
CID 60828717
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198036
2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132708443
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid (CID 60829928) is 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid?
The InChIKey is CKMCGQQFKLBDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-3-10(2)16(8-14(18)19)13(17)9-20-12-7-5-4-6-11(12)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid has a molecular weight of 299.75 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 60829928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).