2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid

C10H18N4O3 — CID 82837839

IUPAC2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(NCCCN=[N+]=[N-])C(=O)O)O1
InChIInChI=1S/C10H18N4O3/c1-7-3-4-8(17-7)9(10(15)16)12-5-2-6-13-14-11/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyYLGKCTCCBHNDHC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.30
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid

2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid (PubChem CID 82837839) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid
PubChem CID82837839
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(NCCCN=[N+]=[N-])C(=O)O)O1
InChIInChI=1S/C10H18N4O3/c1-7-3-4-8(17-7)9(10(15)16)12-5-2-6-13-14-11/h7-9,12H,2-6H2,1H3,(H,15,16)
InChIKeyYLGKCTCCBHNDHC-UHFFFAOYSA-N
XLogP1.30
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid?
The IUPAC name of 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid (CID 82837839) is 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid is CC1CCC(C(NCCCN=[N+]=[N-])C(=O)O)O1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid?
The InChIKey is YLGKCTCCBHNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7-3-4-8(17-7)9(10(15)16)12-5-2-6-13-14-11/h7-9,12H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid?
2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid has a molecular weight of 242.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid is sourced from PubChem (CID 82837839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).