(2-aminoacetyl) 5-amino-4-oxopentanoate

C7H12N2O4 — CID 87872169

IUPAC(2-aminoacetyl) 5-amino-4-oxopentanoate
SMILESNCC(=O)CCC(=O)OC(=O)CN
InChIInChI=1S/C7H12N2O4/c8-3-5(10)1-2-6(11)13-7(12)4-9/h1-4,8-9H2
InChIKeyXCCLEMATGFTTLJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.68
Rot. Bonds5

About (2-aminoacetyl) 5-amino-4-oxopentanoate

(2-aminoacetyl) 5-amino-4-oxopentanoate (PubChem CID 87872169) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2-aminoacetyl) 5-amino-4-oxopentanoate.

Molecular Properties

Compound Name(2-aminoacetyl) 5-amino-4-oxopentanoate
PubChem CID87872169
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2-aminoacetyl) 5-amino-4-oxopentanoate
SMILESNCC(=O)CCC(=O)OC(=O)CN
InChIInChI=1S/C7H12N2O4/c8-3-5(10)1-2-6(11)13-7(12)4-9/h1-4,8-9H2
InChIKeyXCCLEMATGFTTLJ-UHFFFAOYSA-N
XLogP-1.68
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-4-oxopentanoate chloride
CID 53313200
2-chloropropanoyl 5-amino-4-oxopentanoate
CID 175073903
4-O-(2-aminoacetyl) 1-O-(2,2-dimethylpropyl) butanedioate
CID 174947505
acetic acid;(2-aminoacetyl) 2-aminoacetate
CID 174797660
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814
difluoromethyl 5-amino-4-oxopentanoate
CID 141396702
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
bis(2-aminoacetyl) oxalate
CID 88769554
trideuteriomethyl 5-amino-4-oxopentanoate;hydrochloride
CID 171382550
phenoxycarbonyl 5-amino-4-oxopentanoate
CID 174601382
5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
CID 175984462
CID 175984462

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl) 5-amino-4-oxopentanoate?
The IUPAC name of (2-aminoacetyl) 5-amino-4-oxopentanoate (CID 87872169) is (2-aminoacetyl) 5-amino-4-oxopentanoate.
What is the SMILES notation for (2-aminoacetyl) 5-amino-4-oxopentanoate?
The canonical SMILES for (2-aminoacetyl) 5-amino-4-oxopentanoate is NCC(=O)CCC(=O)OC(=O)CN.
What is the InChIKey of (2-aminoacetyl) 5-amino-4-oxopentanoate?
The InChIKey is XCCLEMATGFTTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c8-3-5(10)1-2-6(11)13-7(12)4-9/h1-4,8-9H2.
What are the key properties of (2-aminoacetyl) 5-amino-4-oxopentanoate?
(2-aminoacetyl) 5-amino-4-oxopentanoate has a molecular weight of 188.18 g/mol, XLogP of -1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl) 5-amino-4-oxopentanoate is sourced from PubChem (CID 87872169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).