2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid

C14H18N2O4 — CID 81101850

IUPAC2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCOCC(N)C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-20-8-11(15)14(19)16-7-9(6-13(17)18)10-4-2-3-5-12(10)16/h2-5,9,11H,6-8,15H2,1H3,(H,17,18)
InChIKeyCSSNQHPDINSIKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.57
Rot. Bonds5

About 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 81101850) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID81101850
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCOCC(N)C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-20-8-11(15)14(19)16-7-9(6-13(17)18)10-4-2-3-5-12(10)16/h2-5,9,11H,6-8,15H2,1H3,(H,17,18)
InChIKeyCSSNQHPDINSIKF-UHFFFAOYSA-N
XLogP0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
4-(2-amino-3-methoxypropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 81089567
2-[1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80571667
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid (CID 81101850) is 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid is COCC(N)C(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is CSSNQHPDINSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-8-11(15)14(19)16-7-9(6-13(17)18)10-4-2-3-5-12(10)16/h2-5,9,11H,6-8,15H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 81101850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).