(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid

C15H16N4O4 — CID 679214

IUPAC(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCNC1=O
InChIInChI=1S/C15H16N4O4/c20-13(21)12(18-15(23)19-6-5-16-14(19)22)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H,16,22)(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyRSUYOJOHOWKGAZ-LBPRGKRZSA-N
MW316.32 g/mol
LogP0.90
Rot. Bonds4

About (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid

(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid (PubChem CID 679214) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
PubChem CID679214
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCNC1=O
InChIInChI=1S/C15H16N4O4/c20-13(21)12(18-15(23)19-6-5-16-14(19)22)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H,16,22)(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyRSUYOJOHOWKGAZ-LBPRGKRZSA-N
XLogP0.90
TPSA114.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid
CID 4640387
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
2-(diphenylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 4530624
3-(1H-indol-3-yl)-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 16771664
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
3-(1H-indol-3-yl)-2-[(2-phenylethanethioyl)amino]propanoic acid
CID 88772497
(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 65465990
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 45331843
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid (CID 679214) is (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid is O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCNC1=O.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is RSUYOJOHOWKGAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-13(21)12(18-15(23)19-6-5-16-14(19)22)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H,16,22)(H,18,23)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid?
(2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 316.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-[(2-oxoimidazolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).