3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid

C14H18N2O3 — CID 62230278

IUPAC3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O3/c17-13(10-14(18)19)15-7-3-8-16-9-6-11-4-1-2-5-12(11)16/h1-2,4-5H,3,6-10H2,(H,15,17)(H,18,19)
InChIKeyOVMVUDDKGVKIKZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds6

About 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid

3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid (PubChem CID 62230278) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
PubChem CID62230278
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O3/c17-13(10-14(18)19)15-7-3-8-16-9-6-11-4-1-2-5-12(11)16/h1-2,4-5H,3,6-10H2,(H,15,17)(H,18,19)
InChIKeyOVMVUDDKGVKIKZ-UHFFFAOYSA-N
XLogP1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
3-[2-[3-(2,3-dihydroindol-1-yl)propylamino]-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 70862961
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100555755
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid?
The IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid (CID 62230278) is 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid?
The canonical SMILES for 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid is O=C(O)CC(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid?
The InChIKey is OVMVUDDKGVKIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(10-14(18)19)15-7-3-8-16-9-6-11-4-1-2-5-12(11)16/h1-2,4-5H,3,6-10H2,(H,15,17)(H,18,19).
What are the key properties of 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid?
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid is sourced from PubChem (CID 62230278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).