2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid

C10H18N2O4 — CID 57203596

IUPAC2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid
SMILESCCC(=O)C(NCCN)(C(=O)O)C(=O)CC
InChIInChI=1S/C10H18N2O4/c1-3-7(13)10(9(15)16,8(14)4-2)12-6-5-11/h12H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyCYCWCIZJBSHNJR-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.68
Rot. Bonds8

About 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid

2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid (PubChem CID 57203596) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid
PubChem CID57203596
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid
SMILESCCC(=O)C(NCCN)(C(=O)O)C(=O)CC
InChIInChI=1S/C10H18N2O4/c1-3-7(13)10(9(15)16,8(14)4-2)12-6-5-11/h12H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyCYCWCIZJBSHNJR-UHFFFAOYSA-N
XLogP-0.68
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
ethane-1,2-diamine;propanoic acid
CID 87882267
ethane-1,2-diamine;propanoic acid
CID 87109633
2,3-dihydroxy-2,3-di(propanoyl)butanedioic acid
CID 22153533
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
2-ethyl-2-propanoylpropanedioic acid
CID 175438827
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
3-N'-(2-aminoethyl)pentane-3,3-diamine
CID 174433772
3-amino-3-(2-aminoethylamino)-4,4-bis(carboxymethyl)hexanedioic acid
CID 174797461
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
CID 160895097
CID 160895097

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid?
The IUPAC name of 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid (CID 57203596) is 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid?
The canonical SMILES for 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid is CCC(=O)C(NCCN)(C(=O)O)C(=O)CC.
What is the InChIKey of 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid?
The InChIKey is CYCWCIZJBSHNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-7(13)10(9(15)16,8(14)4-2)12-6-5-11/h12H,3-6,11H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid?
2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-3-oxo-2-propanoylpentanoic acid is sourced from PubChem (CID 57203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).