4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid

C19H29N5O2 — CID 66740574

IUPAC4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(N)(C(=O)O)CCN1c1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C19H29N5O2/c1-12-11-19(21,16(25)26)9-10-24(12)15-13-5-4-8-18(6-2-3-7-18)14(13)22-17(20)23-15/h12H,2-11,21H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyUEONVVRQDGHPJR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.98
Rot. Bonds2

About 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid

4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 66740574) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid
PubChem CID66740574
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(N)(C(=O)O)CCN1c1nc(N)nc2c1CCCC21CCCC1
InChIInChI=1S/C19H29N5O2/c1-12-11-19(21,16(25)26)9-10-24(12)15-13-5-4-8-18(6-2-3-7-18)14(13)22-17(20)23-15/h12H,2-11,21H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyUEONVVRQDGHPJR-UHFFFAOYSA-N
XLogP1.98
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid (CID 66740574) is 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid is CC1CC(N)(C(=O)O)CCN1c1nc(N)nc2c1CCCC21CCCC1.
What is the InChIKey of 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is UEONVVRQDGHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12-11-19(21,16(25)26)9-10-24(12)15-13-5-4-8-18(6-2-3-7-18)14(13)22-17(20)23-15/h12H,2-11,21H2,1H3,(H,25,26)(H2,20,22,23).
What are the key properties of 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid?
4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-aminospiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-4-yl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 66740574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).