(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate

C19H18N3O5- — CID 9292241

IUPAC(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
SMILESO=C(CCNC(=O)c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C19H19N3O5/c23-17(7-8-20-18(24)16-6-3-9-27-16)22-15(19(25)26)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,7-8,10H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t15-/m0/s1
InChIKeyJMFPZQQCEUDHLN-HNNXBMFYSA-M
MW368.37 g/mol
LogP0.36
Rot. Bonds8

About (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate

(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate (PubChem CID 9292241) has the molecular formula C19H18N3O5- and a molecular weight of 368.37 g/mol. Its IUPAC name is (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
PubChem CID9292241
Molecular FormulaC19H18N3O5-
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate
SMILESO=C(CCNC(=O)c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C19H19N3O5/c23-17(7-8-20-18(24)16-6-3-9-27-16)22-15(19(25)26)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,7-8,10H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t15-/m0/s1
InChIKeyJMFPZQQCEUDHLN-HNNXBMFYSA-M
XLogP0.36
TPSA127.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
4-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 7310734
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
(2R)-2-azaniumyl-5-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 6992139
(2R)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 7091278
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
disodium bis((2S)-2-[[(4R)-4,5-diamino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoate)
CID 153409049
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[(2S)-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 110286471
(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
CID 6923792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate (CID 9292241) is (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate is O=C(CCNC(=O)c1ccco1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].
What is the InChIKey of (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is JMFPZQQCEUDHLN-HNNXBMFYSA-M. The full InChI is InChI=1S/C19H19N3O5/c23-17(7-8-20-18(24)16-6-3-9-27-16)22-15(19(25)26)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,7-8,10H2,(H,20,24)(H,22,23)(H,25,26)/p-1/t15-/m0/s1.
What are the key properties of (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate?
(2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 368.37 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 9292241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).