(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid

C10H19N3O4 — CID 114006011

IUPAC(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
SMILESCC(N)CCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(11)2-5-9(15)13-7(10(16)17)3-4-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyQVTUYYDLAAUMAW-COBSHVIPSA-N
MW245.28 g/mol
LogP-1.05
Rot. Bonds8

About (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid (PubChem CID 114006011) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
PubChem CID114006011
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
SMILESCC(N)CCC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-6(11)2-5-9(15)13-7(10(16)17)3-4-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyQVTUYYDLAAUMAW-COBSHVIPSA-N
XLogP-1.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
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

2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
(2S)-5-amino-2-(3-methylsulfonylpropanoylamino)-5-oxopentanoic acid
CID 61144470
20-[(4-amino-1-carboxy-4-oxobutyl)amino]-20-oxoicosanoic acid
CID 88943806

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid (CID 114006011) is (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid is CC(N)CCC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid?
The InChIKey is QVTUYYDLAAUMAW-COBSHVIPSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(11)2-5-9(15)13-7(10(16)17)3-4-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 114006011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).