N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide

C8H16N2O2 — CID 121392103

IUPACN-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CN)NC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-8(12-3)7(5-9)10-6(2)11/h4,7-8H,1,5,9H2,2-3H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyICNOKJKGCUZPQW-JGVFFNPUSA-N
MW172.23 g/mol
LogP-0.35
Rot. Bonds5

About N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide

N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide (PubChem CID 121392103) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide
PubChem CID121392103
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide
SMILESC=C[C@@H](OC)[C@H](CN)NC(C)=O
InChIInChI=1S/C8H16N2O2/c1-4-8(12-3)7(5-9)10-6(2)11/h4,7-8H,1,5,9H2,2-3H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyICNOKJKGCUZPQW-JGVFFNPUSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide (CID 121392103) is N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide is C=C[C@@H](OC)[C@H](CN)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide?
The InChIKey is ICNOKJKGCUZPQW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-8(12-3)7(5-9)10-6(2)11/h4,7-8H,1,5,9H2,2-3H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide?
N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-amino-3-methoxypent-4-en-2-yl]acetamide is sourced from PubChem (CID 121392103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).