2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid

C14H20ClNO2 — CID 61024537

IUPAC2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
SMILESCCC(C)NC(CC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-10(3)16-14(5-2,13(17)18)11-7-6-8-12(15)9-11/h6-10,16H,4-5H2,1-3H3,(H,17,18)
InChIKeySPISOPAVYMZYBQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.42
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid

2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid (PubChem CID 61024537) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
PubChem CID61024537
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
SMILESCCC(C)NC(CC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-10(3)16-14(5-2,13(17)18)11-7-6-8-12(15)9-11/h6-10,16H,4-5H2,1-3H3,(H,17,18)
InChIKeySPISOPAVYMZYBQ-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid (CID 61024537) is 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid is CCC(C)NC(CC)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid?
The InChIKey is SPISOPAVYMZYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-10(3)16-14(5-2,13(17)18)11-7-6-8-12(15)9-11/h6-10,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid?
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid has a molecular weight of 269.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid is sourced from PubChem (CID 61024537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).