3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid

C15H20N2O3 — CID 63793901

IUPAC3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
SMILESCC(N)(C(=O)NCCc1cccc(C(=O)O)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(16,12-5-6-12)14(20)17-8-7-10-3-2-4-11(9-10)13(18)19/h2-4,9,12H,5-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySJCVDLBSGOTFHE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds6

About 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid

3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid (PubChem CID 63793901) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
PubChem CID63793901
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
SMILESCC(N)(C(=O)NCCc1cccc(C(=O)O)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(16,12-5-6-12)14(20)17-8-7-10-3-2-4-11(9-10)13(18)19/h2-4,9,12H,5-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeySJCVDLBSGOTFHE-UHFFFAOYSA-N
XLogP1.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
CID 63793330
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(4-methylpiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63795102
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63793349
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
3-[2-[(2-methyloxolane-3-carbonyl)amino]ethyl]benzoic acid
CID 79750692
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-[di(propan-2-yl)carbamoylamino]ethyl]benzoic acid
CID 166290393
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid (CID 63793901) is 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid is CC(N)(C(=O)NCCc1cccc(C(=O)O)c1)C1CC1.
What is the InChIKey of 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid?
The InChIKey is SJCVDLBSGOTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(16,12-5-6-12)14(20)17-8-7-10-3-2-4-11(9-10)13(18)19/h2-4,9,12H,5-8,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid?
3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 63793901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).