2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide

C23H37N5O5 — CID 144939366

IUPAC2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide
SMILESCC[C@H](C)NC(=O)C(CC1=CC=CCC1)NC(=O)C(CCC(N)=O)NC(=O)CCCC(N)=O
InChIInChI=1S/C23H37N5O5/c1-3-15(2)26-23(33)18(14-16-8-5-4-6-9-16)28-22(32)17(12-13-20(25)30)27-21(31)11-7-10-19(24)29/h4-5,8,15,17-18H,3,6-7,9-14H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,33)(H,27,31)(H,28,32)/t15-,17?,18?/m0/s1
InChIKeySSECUDAOEQAVIN-ZLPCBKJTSA-N
MW463.58 g/mol
LogP0.46
Rot. Bonds15

About 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide

2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide (PubChem CID 144939366) has the molecular formula C23H37N5O5 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide.

Molecular Properties

Compound Name2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide
PubChem CID144939366
Molecular FormulaC23H37N5O5
Molecular Weight463.58 g/mol
Exact Mass463.28
IUPAC Name2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide
SMILESCC[C@H](C)NC(=O)C(CC1=CC=CCC1)NC(=O)C(CCC(N)=O)NC(=O)CCCC(N)=O
InChIInChI=1S/C23H37N5O5/c1-3-15(2)26-23(33)18(14-16-8-5-4-6-9-16)28-22(32)17(12-13-20(25)30)27-21(31)11-7-10-19(24)29/h4-5,8,15,17-18H,3,6-7,9-14H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,33)(H,27,31)(H,28,32)/t15-,17?,18?/m0/s1
InChIKeySSECUDAOEQAVIN-ZLPCBKJTSA-N
XLogP0.46
TPSA173.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 50.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide?
The IUPAC name of 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide (CID 144939366) is 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide.
What is the SMILES notation for 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide?
The canonical SMILES for 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide is CC[C@H](C)NC(=O)C(CC1=CC=CCC1)NC(=O)C(CCC(N)=O)NC(=O)CCCC(N)=O.
What is the InChIKey of 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide?
The InChIKey is SSECUDAOEQAVIN-ZLPCBKJTSA-N. The full InChI is InChI=1S/C23H37N5O5/c1-3-15(2)26-23(33)18(14-16-8-5-4-6-9-16)28-22(32)17(12-13-20(25)30)27-21(31)11-7-10-19(24)29/h4-5,8,15,17-18H,3,6-7,9-14H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,33)(H,27,31)(H,28,32)/t15-,17?,18?/m0/s1.
What are the key properties of 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide?
2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide has a molecular weight of 463.58 g/mol, XLogP of 0.46, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5-oxopentanoyl)amino]-N-[1-[[(2S)-butan-2-yl]amino]-3-cyclohexa-1,3-dien-1-yl-1-oxopropan-2-yl]pentanediamide is sourced from PubChem (CID 144939366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).