(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid

C10H15N3O4 — CID 107830312

IUPAC(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
SMILESC#CCC(N)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-6(11)9(15)13-7(10(16)17)4-5-8(12)14/h1,6-7H,3-5,11H2,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeySSSBJKJMBUPNCX-COBSHVIPSA-N
MW241.25 g/mol
LogP-1.83
Rot. Bonds7

About (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid (PubChem CID 107830312) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
PubChem CID107830312
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid
SMILESC#CCC(N)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-3-6(11)9(15)13-7(10(16)17)4-5-8(12)14/h1,6-7H,3-5,11H2,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1
InChIKeySSSBJKJMBUPNCX-COBSHVIPSA-N
XLogP-1.83
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
CID 82786912
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18219092
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 67053722
5-amino-2-[[3-carboxy-2-[(2,5-diamino-5-oxopentanoyl)amino]propanoyl]amino]-5-oxopentanoic acid
CID 18220565
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 145454379
4-amino-5-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18220251
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 145454423
2-[[5-amino-2-[[5-amino-2-[(2-amino-3-carboxypropanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18249024
5-amino-2-[[4-amino-2-[[4-amino-2-[(2-amino-3-carboxypropanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18247349
5-amino-2-[[5-amino-2-[[2-[[2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 23088280

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid (CID 107830312) is (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid is C#CCC(N)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid?
The InChIKey is SSSBJKJMBUPNCX-COBSHVIPSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-3-6(11)9(15)13-7(10(16)17)4-5-8(12)14/h1,6-7H,3-5,11H2,(H2,12,14)(H,13,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -1.83, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(2-aminopent-4-ynoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).