2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid

C16H19NO4 — CID 119202619

IUPAC2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1COc2ccccc2C1)C1CC1
InChIInChI=1S/C16H19NO4/c1-10(16(19)20)17(13-6-7-13)15(18)12-8-11-4-2-3-5-14(11)21-9-12/h2-5,10,12-13H,6-9H2,1H3,(H,19,20)
InChIKeyGFGUDKUOMMQHOW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds4

About 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid

2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid (PubChem CID 119202619) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
PubChem CID119202619
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1COc2ccccc2C1)C1CC1
InChIInChI=1S/C16H19NO4/c1-10(16(19)20)17(13-6-7-13)15(18)12-8-11-4-2-3-5-14(11)21-9-12/h2-5,10,12-13H,6-9H2,1H3,(H,19,20)
InChIKeyGFGUDKUOMMQHOW-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
2-[tert-butyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]acetic acid
CID 79265135
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467724
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 77002300
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid (CID 119202619) is 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)C1COc2ccccc2C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
The InChIKey is GFGUDKUOMMQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(16(19)20)17(13-6-7-13)15(18)12-8-11-4-2-3-5-14(11)21-9-12/h2-5,10,12-13H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid?
2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).