(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid

C8H14N2O4 — CID 57321719

IUPAC(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid
SMILESCCC(=O)[C@](N)(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-2-5(11)8(10,7(13)14)4-3-6(9)12/h2-4,10H2,1H3,(H2,9,12)(H,13,14)/t8-/m1/s1
InChIKeyUZMNSARYLZPNTH-MRVPVSSYSA-N
MW202.21 g/mol
LogP-0.99
Rot. Bonds6

About (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid

(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid (PubChem CID 57321719) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid.

Molecular Properties

Compound Name(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid
PubChem CID57321719
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid
SMILESCCC(=O)[C@](N)(CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O4/c1-2-5(11)8(10,7(13)14)4-3-6(9)12/h2-4,10H2,1H3,(H2,9,12)(H,13,14)/t8-/m1/s1
InChIKeyUZMNSARYLZPNTH-MRVPVSSYSA-N
XLogP-0.99
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(3-amino-3-oxopropyl)-3-oxoicosanoic acid
CID 19421297
(2R)-2-amino-2-dodecanoylpentanedioic acid
CID 140563960
4-amino-4-methyl-5-oxopentanamide
CID 20716475
2-amino-2-(3-aminopropyl)-3-oxotetradecanoic acid
CID 174507484
2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
CID 151236930
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
4-amino-4,4-dihydroxybutanamide
CID 174849803
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoic acid
CID 175056196
hexanediamide;methoxymethane
CID 87287786
4-amino-4-hexadecanoyl-5-oxoicosanoic acid
CID 175586203
(2S)-2,3-diamino-2-(hydroxymethyl)-3-oxopropanoic acid
CID 69029304
4,4-dimethylpentanamide;hydrochloride
CID 141202343

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid?
The IUPAC name of (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid (CID 57321719) is (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid.
What is the SMILES notation for (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid?
The canonical SMILES for (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid is CCC(=O)[C@](N)(CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid?
The InChIKey is UZMNSARYLZPNTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-2-5(11)8(10,7(13)14)4-3-6(9)12/h2-4,10H2,1H3,(H2,9,12)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid?
(2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-5-oxo-2-propanoylpentanoic acid is sourced from PubChem (CID 57321719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).