tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate

C14H25NO4 — CID 100668130

IUPACtert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1CCCO1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(17)10-15(4)12(16)8-7-11-6-5-9-18-11/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGHBKNUDPXHRQOX-LLVKDONJSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate

tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate (PubChem CID 100668130) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
PubChem CID100668130
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1CCCO1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(17)10-15(4)12(16)8-7-11-6-5-9-18-11/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyGHBKNUDPXHRQOX-LLVKDONJSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[methyl-[3-(oxolan-2-yl)propanoyl]amino]propanoate
CID 54979906
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
4-ethoxy-4-methyl-1-(oxolan-2-yl)hexan-3-one
CID 116747011
N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
3,3-dimethylbutyl 3-(oxolan-2-yl)propanoate
CID 78863605
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
CID 95125519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate?
The IUPAC name of tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate (CID 100668130) is tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1CCCO1.
What is the InChIKey of tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate?
The InChIKey is GHBKNUDPXHRQOX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)10-15(4)12(16)8-7-11-6-5-9-18-11/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate?
tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl-[3-[(2R)-oxolan-2-yl]propanoyl]amino]acetate is sourced from PubChem (CID 100668130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).