(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate

C17H15N2O4- — CID 6923792

IUPAC(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
SMILESCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1
InChIInChI=1S/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1
InChIKeyJKKNHOYMARTPDL-AWEZNQCLSA-M
MW311.32 g/mol
LogP1.16
Rot. Bonds5

About (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate

(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate (PubChem CID 6923792) has the molecular formula C17H15N2O4- and a molecular weight of 311.32 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
PubChem CID6923792
Molecular FormulaC17H15N2O4-
Molecular Weight311.32 g/mol
Exact Mass311.10
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
SMILESCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1
InChIInChI=1S/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1
InChIKeyJKKNHOYMARTPDL-AWEZNQCLSA-M
XLogP1.16
TPSA98.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate with MolForge

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Related Compounds

(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
sodium;2-acetamido-3-(1H-indol-3-yl)propanoate;tetrahydrate
CID 172794214
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 124705268
(2S)-2-(hydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 45266744
(2R)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 7091278
4-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 7310734
(2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 6958099
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5187549
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
(2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylphenoxy)acetyl]amino]propanoate
CID 6972941

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate (CID 6923792) is (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate is Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate?
The InChIKey is JKKNHOYMARTPDL-AWEZNQCLSA-M. The full InChI is InChI=1S/C17H16N2O4/c1-10-6-7-15(23-10)16(20)19-14(17(21)22)8-11-9-18-13-5-3-2-4-12(11)13/h2-7,9,14,18H,8H2,1H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate?
(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate has a molecular weight of 311.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 6923792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).