(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide

C13H26N4O3 — CID 140853235

IUPAC(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide
SMILESCCCC(C(N)=O)[C@@H](C)C(=O)N[C@H](CCCN)C(N)=O
InChIInChI=1S/C13H26N4O3/c1-3-5-9(11(15)18)8(2)13(20)17-10(12(16)19)6-4-7-14/h8-10H,3-7,14H2,1-2H3,(H2,15,18)(H2,16,19)(H,17,20)/t8-,9?,10-/m1/s1
InChIKeyJECXYHGVWFLRFC-RCAUJQPQSA-N
MW286.38 g/mol
LogP-0.77
Rot. Bonds10

About (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide

(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide (PubChem CID 140853235) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide.

Molecular Properties

Compound Name(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide
PubChem CID140853235
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide
SMILESCCCC(C(N)=O)[C@@H](C)C(=O)N[C@H](CCCN)C(N)=O
InChIInChI=1S/C13H26N4O3/c1-3-5-9(11(15)18)8(2)13(20)17-10(12(16)19)6-4-7-14/h8-10H,3-7,14H2,1-2H3,(H2,15,18)(H2,16,19)(H,17,20)/t8-,9?,10-/m1/s1
InChIKeyJECXYHGVWFLRFC-RCAUJQPQSA-N
XLogP-0.77
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
CID 138591148
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]hexadecanamide
CID 46865228
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]-10-hydroxydecanamide
CID 177174947

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide?
The IUPAC name of (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide (CID 140853235) is (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide.
What is the SMILES notation for (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide?
The canonical SMILES for (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide is CCCC(C(N)=O)[C@@H](C)C(=O)N[C@H](CCCN)C(N)=O.
What is the InChIKey of (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide?
The InChIKey is JECXYHGVWFLRFC-RCAUJQPQSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-5-9(11(15)18)8(2)13(20)17-10(12(16)19)6-4-7-14/h8-10H,3-7,14H2,1-2H3,(H2,15,18)(H2,16,19)(H,17,20)/t8-,9?,10-/m1/s1.
What are the key properties of (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide?
(3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide has a molecular weight of 286.38 g/mol, XLogP of -0.77, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[(2R)-1,5-diamino-1-oxopentan-2-yl]-3-methyl-2-propylbutanediamide is sourced from PubChem (CID 140853235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).