(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide

C22H30N2O4 — CID 160669671

IUPAC(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide
SMILESCCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)CO)CC(C)C
InChIInChI=1S/C22H30N2O4/c1-4-21(27)20(11-16-12-23-19-8-6-5-7-18(16)19)24-22(28)15(9-14(2)3)10-17(26)13-25/h5-8,12,14-15,20,23,25H,4,9-11,13H2,1-3H3,(H,24,28)/t15-,20+/m1/s1
InChIKeyRMTLSWAMYQCRAJ-QRWLVFNGSA-N
MW386.49 g/mol
LogP2.79
Rot. Bonds11

About (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide

(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide (PubChem CID 160669671) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide
PubChem CID160669671
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide
SMILESCCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)CO)CC(C)C
InChIInChI=1S/C22H30N2O4/c1-4-21(27)20(11-16-12-23-19-8-6-5-7-18(16)19)24-22(28)15(9-14(2)3)10-17(26)13-25/h5-8,12,14-15,20,23,25H,4,9-11,13H2,1-3H3,(H,24,28)/t15-,20+/m1/s1
InChIKeyRMTLSWAMYQCRAJ-QRWLVFNGSA-N
XLogP2.79
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-methylhexanoic acid
CID 54003388
3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-methylhexanoic acid
CID 54003387
N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854880
(2R)-N-[(2S)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10624005
methyl 2-[[(3R)-3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-5-methylhexanoyl]amino]oxyacetate
CID 10647658
[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-4-methylpentyl]carbamic acid
CID 70184861
(2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 70616722
(2R)-2-[[2-[2-[butyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 67652916
(2R)-2-[[2-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 67652101
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2R)-2-[3-(carbamoylamino)propyl]-N-[(2S)-1-(1H-indol-3-yl)-4-methyl-3-oxopentan-2-yl]-4-methylpentanamide
CID 160832048
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175717213

Frequently Asked Questions

What is the IUPAC name of (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide?
The IUPAC name of (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide (CID 160669671) is (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide?
The canonical SMILES for (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide is CCC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)CO)CC(C)C.
What is the InChIKey of (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide?
The InChIKey is RMTLSWAMYQCRAJ-QRWLVFNGSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-4-21(27)20(11-16-12-23-19-8-6-5-7-18(16)19)24-22(28)15(9-14(2)3)10-17(26)13-25/h5-8,12,14-15,20,23,25H,4,9-11,13H2,1-3H3,(H,24,28)/t15-,20+/m1/s1.
What are the key properties of (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide?
(2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide has a molecular weight of 386.49 g/mol, XLogP of 2.79, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-hydroxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxopentanamide is sourced from PubChem (CID 160669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).