methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine

C20H34N4O2 — CID 176962522

IUPACmethyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCCCN(CCC(N)C(=O)OC)C1CC1.c1cnc2c(c1)CCCN2
InChIInChI=1S/C12H24N2O2.C8H10N2/c1-3-4-8-14(10-5-6-10)9-7-11(13)12(15)16-2;1-3-7-4-2-6-10-8(7)9-5-1/h10-11H,3-9,13H2,1-2H3;1,3,5H,2,4,6H2,(H,9,10)
InChIKeyIANRZYJVGNKLTJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.58
Rot. Bonds8

About methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine

methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 176962522) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Namemethyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID176962522
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Namemethyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCCCN(CCC(N)C(=O)OC)C1CC1.c1cnc2c(c1)CCCN2
InChIInChI=1S/C12H24N2O2.C8H10N2/c1-3-4-8-14(10-5-6-10)9-7-11(13)12(15)16-2;1-3-7-4-2-6-10-8(7)9-5-1/h10-11H,3-9,13H2,1-2H3;1,3,5H,2,4,6H2,(H,9,10)
InChIKeyIANRZYJVGNKLTJ-UHFFFAOYSA-N
XLogP2.58
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine (CID 176962522) is methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine is CCCCN(CCC(N)C(=O)OC)C1CC1.c1cnc2c(c1)CCCN2.
What is the InChIKey of methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is IANRZYJVGNKLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C8H10N2/c1-3-4-8-14(10-5-6-10)9-7-11(13)12(15)16-2;1-3-7-4-2-6-10-8(7)9-5-1/h10-11H,3-9,13H2,1-2H3;1,3,5H,2,4,6H2,(H,9,10).
What are the key properties of methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine?
methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 362.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[butyl(cyclopropyl)amino]butanoate;1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 176962522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).