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

C13H24N2O4 — CID 66566406

IUPAC2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCN(CC1CCCN1CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14(4)8-10-6-5-7-15(10)9-11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyMQCBVWFBDGPRJQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds4

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

2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 66566406) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID66566406
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
SMILESCN(CC1CCCN1CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14(4)8-10-6-5-7-15(10)9-11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyMQCBVWFBDGPRJQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811
tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
CID 71988615
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid (CID 66566406) is 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid is CN(CC1CCCN1CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is MQCBVWFBDGPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14(4)8-10-6-5-7-15(10)9-11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid?
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 66566406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).