2-amino-5-(2-oxopropoxy)pentanoic acid

C8H15NO4 — CID 88585596

IUPAC2-amino-5-(2-oxopropoxy)pentanoic acid
SMILESCC(=O)COCCCC(N)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(10)5-13-4-2-3-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,11,12)
InChIKeyJLKSLFJWRVETML-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.22
Rot. Bonds7

About 2-amino-5-(2-oxopropoxy)pentanoic acid

2-amino-5-(2-oxopropoxy)pentanoic acid (PubChem CID 88585596) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-amino-5-(2-oxopropoxy)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-oxopropoxy)pentanoic acid
PubChem CID88585596
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-amino-5-(2-oxopropoxy)pentanoic acid
SMILESCC(=O)COCCCC(N)C(=O)O
InChIInChI=1S/C8H15NO4/c1-6(10)5-13-4-2-3-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,11,12)
InChIKeyJLKSLFJWRVETML-UHFFFAOYSA-N
XLogP-0.22
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxypentanoic acid
CID 18361135
(3S)-3-amino-6-(aminomethoxy)hexan-2-one
CID 174311583
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
1-(10-methylundecoxy)propan-2-one
CID 171604608
2-amino-5-phosphorosooxypentanoic acid;azane
CID 87481261
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-oxopropoxy)pentanoic acid?
The IUPAC name of 2-amino-5-(2-oxopropoxy)pentanoic acid (CID 88585596) is 2-amino-5-(2-oxopropoxy)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-oxopropoxy)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-oxopropoxy)pentanoic acid is CC(=O)COCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-oxopropoxy)pentanoic acid?
The InChIKey is JLKSLFJWRVETML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(10)5-13-4-2-3-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-5-(2-oxopropoxy)pentanoic acid?
2-amino-5-(2-oxopropoxy)pentanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-oxopropoxy)pentanoic acid is sourced from PubChem (CID 88585596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).