5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid

C10H19N3O4 — CID 172572063

IUPAC5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
SMILESNCCCC(NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O4/c11-6-2-3-7(10(12)17)13-8(14)4-1-5-9(15)16/h7H,1-6,11H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyMUMJZMSGCCPOIA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.05
Rot. Bonds9

About 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid

5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 172572063) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
PubChem CID172572063
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
SMILESNCCCC(NC(=O)CCCC(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O4/c11-6-2-3-7(10(12)17)13-8(14)4-1-5-9(15)16/h7H,1-6,11H2,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyMUMJZMSGCCPOIA-UHFFFAOYSA-N
XLogP-1.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149
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
(4S)-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-(hexadecanoylamino)-5-oxopentanoic acid
CID 46865227
18-[[(1S)-5-amino-1-carboxypentyl]amino]-18-oxooctadecanoic acid
CID 177296826
5-[[(2R)-1-[[(2R)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-5-oxopentanoic acid
CID 58789915
(3S)-4-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-oxo-3-[(2-sulfanylacetyl)amino]butanoic acid
CID 46882697
potassium (2S)-6-amino-2-(7-carboxyheptanoylamino)hexanoate
CID 118533382
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
CID 147465259
(4S)-4-amino-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 11000252

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid (CID 172572063) is 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid is NCCCC(NC(=O)CCCC(=O)O)C(N)=O.
What is the InChIKey of 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is MUMJZMSGCCPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c11-6-2-3-7(10(12)17)13-8(14)4-1-5-9(15)16/h7H,1-6,11H2,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-diamino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 172572063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).