(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid

C15H26N2O5 — CID 155210090

IUPAC(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid
SMILESCC(C)(C)OC(=O)NC1CC2(C1)CC(OC[C@H](N)C(=O)O)C2
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-9-4-15(5-9)6-10(7-15)21-8-11(16)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9?,10?,11-,15?/m0/s1
InChIKeyLVDOSXZJGIZMOU-RUIJOYPPSA-N
MW314.38 g/mol
LogP1.25
Rot. Bonds5

About (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid

(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid (PubChem CID 155210090) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid
PubChem CID155210090
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid
SMILESCC(C)(C)OC(=O)NC1CC2(C1)CC(OC[C@H](N)C(=O)O)C2
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-9-4-15(5-9)6-10(7-15)21-8-11(16)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9?,10?,11-,15?/m0/s1
InChIKeyLVDOSXZJGIZMOU-RUIJOYPPSA-N
XLogP1.25
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid with MolForge

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Related Compounds

tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-(3,3-dimethoxycyclobutyl)carbamate
CID 142054635
tert-butyl N-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)carbamate;2-ethyl-2-azaspiro[3.3]heptan-6-amine;hydrochloride
CID 160978622
tert-butyl N-[2-(2-chloroacetyl)-2-azaspiro[3.3]heptan-6-yl]carbamate
CID 175906696
tert-butyl N-(3,3-dicarbonofluoridoylcyclobutyl)carbamate
CID 155092613
tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
CID 166834794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid (CID 155210090) is (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid is CC(C)(C)OC(=O)NC1CC2(C1)CC(OC[C@H](N)C(=O)O)C2.
What is the InChIKey of (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid?
The InChIKey is LVDOSXZJGIZMOU-RUIJOYPPSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-14(2,3)22-13(20)17-9-4-15(5-9)6-10(7-15)21-8-11(16)12(18)19/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9?,10?,11-,15?/m0/s1.
What are the key properties of (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid?
(2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid has a molecular weight of 314.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptan-2-yl]oxypropanoic acid is sourced from PubChem (CID 155210090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).