5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid

C10H17NO5 — CID 10681019

IUPAC5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid
SMILESCC(CCC(=O)O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H17NO5/c1-7(2-4-9(13)14)11-6-8(12)3-5-10(15)16/h7,11H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyKKBWOMVRQUXXES-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.26
Rot. Bonds9

About 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid

5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid (PubChem CID 10681019) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid
PubChem CID10681019
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid
SMILESCC(CCC(=O)O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H17NO5/c1-7(2-4-9(13)14)11-6-8(12)3-5-10(15)16/h7,11H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyKKBWOMVRQUXXES-UHFFFAOYSA-N
XLogP0.26
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hexylamino)-4-oxopentanoic acid
CID 44583115
5-[(4-Methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
CID 57339528
N(5)-(1-Carboxyethyl)ornithine
CID 128597
(2R)-2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 123602658
n5-(1-Carboxyethyl)-ornithine
CID 21130406
3-(Methylamino)-5-[methyl(pentyl)amino]-4-oxopentanoic acid
CID 22969760
3-(Methylamino)-5-[methyl(propyl)amino]-4-oxopentanoic acid
CID 22969763
5-[Butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969856
5-[Hexyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 22969861
4-Oxo-5-[(1-oxobutyl)amino]pentanoic acid
CID 59623988
(3S)-5-[butyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
CID 59909388
5-(Carboxymethylamino)-2-(methylamino)pentanoic acid
CID 59961578

Frequently Asked Questions

What is the IUPAC name of 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid (CID 10681019) is 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid is CC(CCC(=O)O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid?
The InChIKey is KKBWOMVRQUXXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(2-4-9(13)14)11-6-8(12)3-5-10(15)16/h7,11H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid?
5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carboxybutan-2-ylamino)-4-oxopentanoic acid is sourced from PubChem (CID 10681019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).