2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid

C15H20N2O4 — CID 62366276

IUPAC2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-11-8-9-21-13-7-4-3-6-10(11)13/h3-4,6-7,11-12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPJEMMTNTNOQJCX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.06
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid (PubChem CID 62366276) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
PubChem CID62366276
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NC1CCOc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-11-8-9-21-13-7-4-3-6-10(11)13/h3-4,6-7,11-12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyPJEMMTNTNOQJCX-UHFFFAOYSA-N
XLogP2.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94553767
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid (CID 62366276) is 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NC1CCOc2ccccc21)C(=O)O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid?
The InChIKey is PJEMMTNTNOQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-11-8-9-21-13-7-4-3-6-10(11)13/h3-4,6-7,11-12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid?
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 62366276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).