4-(1-aminopropan-2-ylamino)benzoic acid

C10H14N2O2 — CID 103387752

IUPAC4-(1-aminopropan-2-ylamino)benzoic acid
SMILESCC(CN)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-7(6-11)12-9-4-2-8(3-5-9)10(13)14/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyVJUVPDHLKQYWTR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.14
Rot. Bonds4

About 4-(1-aminopropan-2-ylamino)benzoic acid

4-(1-aminopropan-2-ylamino)benzoic acid (PubChem CID 103387752) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylamino)benzoic acid
PubChem CID103387752
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(1-aminopropan-2-ylamino)benzoic acid
SMILESCC(CN)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-7(6-11)12-9-4-2-8(3-5-9)10(13)14/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyVJUVPDHLKQYWTR-UHFFFAOYSA-N
XLogP1.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
4-[[4-(butan-2-ylamino)phenyl]diazenyl]benzoic acid
CID 15508802
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
CID 103388916
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
4-[[(1R)-1-carboxyethyl]amino]benzoic acid
CID 45089845
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
4-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 65332857
4-(1,1-difluoropropan-2-ylamino)benzoic acid
CID 102868222
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylamino)benzoic acid?
The IUPAC name of 4-(1-aminopropan-2-ylamino)benzoic acid (CID 103387752) is 4-(1-aminopropan-2-ylamino)benzoic acid.
What is the SMILES notation for 4-(1-aminopropan-2-ylamino)benzoic acid?
The canonical SMILES for 4-(1-aminopropan-2-ylamino)benzoic acid is CC(CN)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-aminopropan-2-ylamino)benzoic acid?
The InChIKey is VJUVPDHLKQYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(6-11)12-9-4-2-8(3-5-9)10(13)14/h2-5,7,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 4-(1-aminopropan-2-ylamino)benzoic acid?
4-(1-aminopropan-2-ylamino)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylamino)benzoic acid is sourced from PubChem (CID 103387752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).