(2S)-2-acetamido-5-azaniumylpentanoate

C7H14N2O3 — CID 6992102

IUPAC(2S)-2-acetamido-5-azaniumylpentanoate
SMILESCC(=O)N[C@@H](CCC[NH3+])C(=O)[O-]
InChIInChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyJRLGPAXAGHMNOL-LURJTMIESA-N
MW174.20 g/mol
LogP-2.74
Rot. Bonds5

About (2S)-2-acetamido-5-azaniumylpentanoate

(2S)-2-acetamido-5-azaniumylpentanoate (PubChem CID 6992102) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-acetamido-5-azaniumylpentanoate.

Molecular Properties

Compound Name(2S)-2-acetamido-5-azaniumylpentanoate
PubChem CID6992102
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-acetamido-5-azaniumylpentanoate
SMILESCC(=O)N[C@@H](CCC[NH3+])C(=O)[O-]
InChIInChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyJRLGPAXAGHMNOL-LURJTMIESA-N
XLogP-2.74
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-5-azaniumylpentanoate?
The IUPAC name of (2S)-2-acetamido-5-azaniumylpentanoate (CID 6992102) is (2S)-2-acetamido-5-azaniumylpentanoate.
What is the SMILES notation for (2S)-2-acetamido-5-azaniumylpentanoate?
The canonical SMILES for (2S)-2-acetamido-5-azaniumylpentanoate is CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-acetamido-5-azaniumylpentanoate?
The InChIKey is JRLGPAXAGHMNOL-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-5-azaniumylpentanoate?
(2S)-2-acetamido-5-azaniumylpentanoate has a molecular weight of 174.20 g/mol, XLogP of -2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-5-azaniumylpentanoate is sourced from PubChem (CID 6992102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).