4-(1-amino-1-carboxypropyl)benzoic acid

C11H13NO4 — CID 3937355

IUPAC4-(1-amino-1-carboxypropyl)benzoic acid
SMILESCCC(N)(C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-2-11(12,10(15)16)8-5-3-7(4-6-8)9(13)14/h3-6H,2,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyAIEFWRHRHFRLFT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.03
Rot. Bonds4

About 4-(1-amino-1-carboxypropyl)benzoic acid

4-(1-amino-1-carboxypropyl)benzoic acid (PubChem CID 3937355) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(1-amino-1-carboxypropyl)benzoic acid.

Molecular Properties

Compound Name4-(1-amino-1-carboxypropyl)benzoic acid
PubChem CID3937355
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(1-amino-1-carboxypropyl)benzoic acid
SMILESCCC(N)(C(=O)O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-2-11(12,10(15)16)8-5-3-7(4-6-8)9(13)14/h3-6H,2,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyAIEFWRHRHFRLFT-UHFFFAOYSA-N
XLogP1.03
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)Benzoic Acid
CID 65526
(RS)-aminoindan-1,5-dicarboxylic Acid
CID 2071
alpha-Methyl-4-carboxyphenylglycine
CID 1222
(S)-alpha-methyl-4-carboxyphenylglycine
CID 446355
4-Carbamoylbenzoic acid
CID 506057
4-[(S)-amino(carboxy)methyl]-3-methylbenzoic acid
CID 5311261
2-Amino-2-phenylbutyric acid
CID 89317
(2S)-2-amino-2-phenylpropanoic acid
CID 853461
(S)-3,4-Dcpg
CID 16062593
3,4-Dicarboxyphenylglycine
CID 3313698
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
4-Carbamothioylbenzoic acid
CID 16772501

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-carboxypropyl)benzoic acid?
The IUPAC name of 4-(1-amino-1-carboxypropyl)benzoic acid (CID 3937355) is 4-(1-amino-1-carboxypropyl)benzoic acid.
What is the SMILES notation for 4-(1-amino-1-carboxypropyl)benzoic acid?
The canonical SMILES for 4-(1-amino-1-carboxypropyl)benzoic acid is CCC(N)(C(=O)O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-amino-1-carboxypropyl)benzoic acid?
The InChIKey is AIEFWRHRHFRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-11(12,10(15)16)8-5-3-7(4-6-8)9(13)14/h3-6H,2,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(1-amino-1-carboxypropyl)benzoic acid?
4-(1-amino-1-carboxypropyl)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-carboxypropyl)benzoic acid is sourced from PubChem (CID 3937355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).