2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid

C10H18N2O5 — CID 89120164

IUPAC2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
SMILESCCC[C@H](NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-3-7(10(16)17)12-8(13)5-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1
InChIKeyLIOSSUQSHOGXEF-MLWJPKLSSA-N
MW246.26 g/mol
LogP-0.45
Rot. Bonds8

About 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid

2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid (PubChem CID 89120164) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
PubChem CID89120164
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
SMILESCCC[C@H](NC(=O)CCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-2-3-7(10(16)17)12-8(13)5-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1
InChIKeyLIOSSUQSHOGXEF-MLWJPKLSSA-N
XLogP-0.45
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
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CID 87289628
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CID 71728417
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
(2S)-2-amino-5-[[(1R)-2-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 14253338

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid (CID 89120164) is 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid is CCC[C@H](NC(=O)CCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid?
The InChIKey is LIOSSUQSHOGXEF-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-2-3-7(10(16)17)12-8(13)5-4-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6?,7-/m0/s1.
What are the key properties of 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid?
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 89120164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).