2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid

C14H16N2O2 — CID 68626670

IUPAC2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NC1CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)13(16-10-5-6-10)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,13,15-16H,5-7H2,(H,17,18)
InChIKeyOJNDWNWAHYLTHO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds5

About 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid

2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid (PubChem CID 68626670) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
PubChem CID68626670
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)NC1CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)13(16-10-5-6-10)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,13,15-16H,5-7H2,(H,17,18)
InChIKeyOJNDWNWAHYLTHO-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
(2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoic acid
CID 87366528
(2R)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 29276544
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid;hydrate
CID 70535842
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
(2S)-3-(1H-indol-3-yl)-2-(oxiran-2-ylmethylamino)propanoic acid
CID 153333033
(2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid;3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid
CID 67623773
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid (CID 68626670) is 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is OJNDWNWAHYLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(18)13(16-10-5-6-10)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,13,15-16H,5-7H2,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid?
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 68626670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).