2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide

C10H19N3O4 — CID 91533089

IUPAC2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide
SMILESCC(=O)C(NC(=O)C(N)CCC(N)=O)C(C)O
InChIInChI=1S/C10H19N3O4/c1-5(14)9(6(2)15)13-10(17)7(11)3-4-8(12)16/h5,7,9,14H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyMQXXYEIQBJUSLS-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.97
Rot. Bonds7

About 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide

2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide (PubChem CID 91533089) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide
PubChem CID91533089
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide
SMILESCC(=O)C(NC(=O)C(N)CCC(N)=O)C(C)O
InChIInChI=1S/C10H19N3O4/c1-5(14)9(6(2)15)13-10(17)7(11)3-4-8(12)16/h5,7,9,14H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyMQXXYEIQBJUSLS-UHFFFAOYSA-N
XLogP-1.97
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18483490
5-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
CID 18483480
(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 145455220
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 18483483
4-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18220817
2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 18220825
methyl (2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoate
CID 57114090
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 18483541
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
CID 18478688
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 18483089
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetic acid
CID 18483301
2-[[2-[[4-carboxy-2-[(2,5-diamino-5-oxopentanoyl)amino]butanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
CID 18479087

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide (CID 91533089) is 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide is CC(=O)C(NC(=O)C(N)CCC(N)=O)C(C)O.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide?
The InChIKey is MQXXYEIQBJUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(14)9(6(2)15)13-10(17)7(11)3-4-8(12)16/h5,7,9,14H,3-4,11H2,1-2H3,(H2,12,16)(H,13,17).
What are the key properties of 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide?
2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide has a molecular weight of 245.28 g/mol, XLogP of -1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-oxopentan-3-yl)pentanediamide is sourced from PubChem (CID 91533089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).