2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid

C15H17NO4 — CID 62697656

IUPAC2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1COc2ccccc2C1
InChIInChI=1S/C15H17NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,9,11,13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyQTWYAIDZHGXHSD-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.22
Rot. Bonds4

About 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid

2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid (PubChem CID 62697656) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
PubChem CID62697656
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1COc2ccccc2C1
InChIInChI=1S/C15H17NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,9,11,13H,5-8H2,(H,16,17)(H,18,19)
InChIKeyQTWYAIDZHGXHSD-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467724
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041230
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81042134
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-methylsulfanylbutanoic acid
CID 43241896
(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129466355
N-(1-chloro-3-methylbutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114305640
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid (CID 62697656) is 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid is O=C(NC(C(=O)O)C1CC1)C1COc2ccccc2C1.
What is the InChIKey of 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid?
The InChIKey is QTWYAIDZHGXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(16-13(15(18)19)9-5-6-9)11-7-10-3-1-2-4-12(10)20-8-11/h1-4,9,11,13H,5-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid?
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid is sourced from PubChem (CID 62697656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).