(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid

C19H19NO5 — CID 129466355

IUPAC(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)C(=O)O)cc1
InChIInChI=1S/C19H19NO5/c1-24-15-8-6-12(7-9-15)17(19(22)23)20-18(21)14-10-13-4-2-3-5-16(13)25-11-14/h2-9,14,17H,10-11H2,1H3,(H,20,21)(H,22,23)/t14-,17+/m1/s1
InChIKeyBPERCOQNDYQDSM-PBHICJAKSA-N
MW341.36 g/mol
LogP2.19
Rot. Bonds5

About (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid

(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid (PubChem CID 129466355) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
PubChem CID129466355
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)C(=O)O)cc1
InChIInChI=1S/C19H19NO5/c1-24-15-8-6-12(7-9-15)17(19(22)23)20-18(21)14-10-13-4-2-3-5-16(13)25-11-14/h2-9,14,17H,10-11H2,1H3,(H,20,21)(H,22,23)/t14-,17+/m1/s1
InChIKeyBPERCOQNDYQDSM-PBHICJAKSA-N
XLogP2.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid with MolForge

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Related Compounds

methyl (3S)-3-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 52534914
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
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268
methyl (3S)-3-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-fluorophenyl)propanoate
CID 95581147
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041091
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
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid (CID 129466355) is (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid is COc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3C2)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
The InChIKey is BPERCOQNDYQDSM-PBHICJAKSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-15-8-6-12(7-9-15)17(19(22)23)20-18(21)14-10-13-4-2-3-5-16(13)25-11-14/h2-9,14,17H,10-11H2,1H3,(H,20,21)(H,22,23)/t14-,17+/m1/s1.
What are the key properties of (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid?
(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid has a molecular weight of 341.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 129466355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).