2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid

C15H26N2O4 — CID 66564619

IUPAC2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN(CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-8-4-5-12(17)9-16(10-13(18)19)11-6-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyCBAFAGGISZYALE-LBPRGKRZSA-N
MW298.38 g/mol
LogP1.93
Rot. Bonds5

About 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid

2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid (PubChem CID 66564619) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid
PubChem CID66564619
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN(CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-8-4-5-12(17)9-16(10-13(18)19)11-6-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyCBAFAGGISZYALE-LBPRGKRZSA-N
XLogP1.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-1-acetylpiperidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96553154
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid (CID 66564619) is 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid is CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid?
The InChIKey is CBAFAGGISZYALE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-8-4-5-12(17)9-16(10-13(18)19)11-6-7-11/h11-12H,4-10H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid?
2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 66564619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).