tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid

C10H20N2O4 — CID 87410823

IUPACtert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCOCNC(=O)C(C)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-7(8(13)11-6-16-5)12(9(14)15)10(2,3)4/h7H,6H2,1-5H3,(H,11,13)(H,14,15)
InChIKeyBCLZMCYACUGCFD-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.87
Rot. Bonds4

About tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid

tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 87410823) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid
PubChem CID87410823
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid
SMILESCOCNC(=O)C(C)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-7(8(13)11-6-16-5)12(9(14)15)10(2,3)4/h7H,6H2,1-5H3,(H,11,13)(H,14,15)
InChIKeyBCLZMCYACUGCFD-UHFFFAOYSA-N
XLogP0.87
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 15930646
N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]glycine
CID 120046
L-Alanine, L-alanyl-L-alanyl-, methyl ester, acetate (1:1)
CID 6364618
tert-Butyloxycarbonyl-alanyl-glycine
CID 192413
(S)-2-(2-((tert-Butoxycarbonyl)amino)propanamido)acetic acid
CID 192414
tert-butyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87869836
tert-butyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87869870
t-Butoxycarbonylalanylalanamide
CID 4385
Zytwvmybkunpin-uhfffaoysa-
CID 14333290
tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 11601211
Ac-Ala-Ala-Aib-OMe
CID 101446286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid (CID 87410823) is tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid is COCNC(=O)C(C)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is BCLZMCYACUGCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(8(13)11-6-16-5)12(9(14)15)10(2,3)4/h7H,6H2,1-5H3,(H,11,13)(H,14,15).
What are the key properties of tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid?
tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 232.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 87410823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).