2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid

C11H21NO4 — CID 23033833

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)6-12(7-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyHPDNHXHMUBENMG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.96
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid (PubChem CID 23033833) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid
PubChem CID23033833
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)6-12(7-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyHPDNHXHMUBENMG-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CID 83692
2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
N-(tert-Butoxycarbonyl)iminodiacetic Acid
CID 2755971
2-{[(Tert-butoxy)carbonyl](prop-2-yn-1-yl)amino}acetic acid
CID 10262630
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-(((Tert-butoxy)carbonyl)(cyclopropyl)amino)propanoic acid
CID 22928380
2-{[(Tert-butoxy)carbonyl](cyclopropylmethyl)amino}acetic acid
CID 43655163

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid (CID 23033833) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is HPDNHXHMUBENMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)6-12(7-9(13)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 23033833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).