2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid

C19H20N2O4 — CID 19048844

IUPAC2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid
SMILESNCc1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CO3)cc1
InChIInChI=1S/C19H20N2O4/c20-10-12-1-3-14(4-2-12)19(24)21-16-5-6-17-15(9-16)7-13(11-25-17)8-18(22)23/h1-6,9,13H,7-8,10-11,20H2,(H,21,24)(H,22,23)
InChIKeyFUQBPUBRCVNDLO-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid

2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid (PubChem CID 19048844) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid
PubChem CID19048844
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid
SMILESNCc1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CO3)cc1
InChIInChI=1S/C19H20N2O4/c20-10-12-1-3-14(4-2-12)19(24)21-16-5-6-17-15(9-16)7-13(11-25-17)8-18(22)23/h1-6,9,13H,7-8,10-11,20H2,(H,21,24)(H,22,23)
InChIKeyFUQBPUBRCVNDLO-UHFFFAOYSA-N
XLogP2.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The IUPAC name of 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid (CID 19048844) is 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid is NCc1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CO3)cc1.
What is the InChIKey of 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The InChIKey is FUQBPUBRCVNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-10-12-1-3-14(4-2-12)19(24)21-16-5-6-17-15(9-16)7-13(11-25-17)8-18(22)23/h1-6,9,13H,7-8,10-11,20H2,(H,21,24)(H,22,23).
What are the key properties of 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid?
2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-2H-chromen-3-yl]acetic acid is sourced from PubChem (CID 19048844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).