[(2S)-2-amino-3-oxopentyl] 2-aminoacetate

C7H14N2O3 — CID 162175128

IUPAC[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
SMILESCCC(=O)[C@@H](N)COC(=O)CN
InChIInChI=1S/C7H14N2O3/c1-2-6(10)5(9)4-12-7(11)3-8/h5H,2-4,8-9H2,1H3/t5-/m0/s1
InChIKeyDPAOZUVNVLICFR-YFKPBYRVSA-N
MW174.20 g/mol
LogP-1.21
Rot. Bonds5

About [(2S)-2-amino-3-oxopentyl] 2-aminoacetate

[(2S)-2-amino-3-oxopentyl] 2-aminoacetate (PubChem CID 162175128) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(2S)-2-amino-3-oxopentyl] 2-aminoacetate.

Molecular Properties

Compound Name[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
PubChem CID162175128
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
SMILESCCC(=O)[C@@H](N)COC(=O)CN
InChIInChI=1S/C7H14N2O3/c1-2-6(10)5(9)4-12-7(11)3-8/h5H,2-4,8-9H2,1H3/t5-/m0/s1
InChIKeyDPAOZUVNVLICFR-YFKPBYRVSA-N
XLogP-1.21
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-oxopentyl] 2-aminoacetate?
The IUPAC name of [(2S)-2-amino-3-oxopentyl] 2-aminoacetate (CID 162175128) is [(2S)-2-amino-3-oxopentyl] 2-aminoacetate.
What is the SMILES notation for [(2S)-2-amino-3-oxopentyl] 2-aminoacetate?
The canonical SMILES for [(2S)-2-amino-3-oxopentyl] 2-aminoacetate is CCC(=O)[C@@H](N)COC(=O)CN.
What is the InChIKey of [(2S)-2-amino-3-oxopentyl] 2-aminoacetate?
The InChIKey is DPAOZUVNVLICFR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-6(10)5(9)4-12-7(11)3-8/h5H,2-4,8-9H2,1H3/t5-/m0/s1.
What are the key properties of [(2S)-2-amino-3-oxopentyl] 2-aminoacetate?
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate has a molecular weight of 174.20 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-oxopentyl] 2-aminoacetate is sourced from PubChem (CID 162175128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).