tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate

C10H20N2O4 — CID 134128297

IUPACtert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
SMILESC[C@@H](O)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-7(13)8(14)11-5-6-12-9(15)16-10(2,3)4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15)/t7-/m1/s1
InChIKeyAIGCCQAHPBFJQP-SSDOTTSWSA-N
MW232.28 g/mol
LogP0.01
Rot. Bonds4

About tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate (PubChem CID 134128297) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
PubChem CID134128297
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
SMILESC[C@@H](O)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-7(13)8(14)11-5-6-12-9(15)16-10(2,3)4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15)/t7-/m1/s1
InChIKeyAIGCCQAHPBFJQP-SSDOTTSWSA-N
XLogP0.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate 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

tert-butyl 2-(2-hydroxypropanoylamino)acetate
CID 169085959
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
CID 108864438
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
CID 102610042
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate (CID 134128297) is tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate is C[C@@H](O)C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate?
The InChIKey is AIGCCQAHPBFJQP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(13)8(14)11-5-6-12-9(15)16-10(2,3)4/h7,13H,5-6H2,1-4H3,(H,11,14)(H,12,15)/t7-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate is sourced from PubChem (CID 134128297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).