tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid

C13H26N2O5 — CID 138610691

IUPACtert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(CC(O)CN(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-12(2,3)14(10(17)18)7-9(16)8-15(11(19)20)13(4,5)6/h9,16H,7-8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyBMROMKIRMWGJQT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid

tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid (PubChem CID 138610691) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
PubChem CID138610691
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Nametert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid
SMILESCC(C)(C)N(CC(O)CN(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O5/c1-12(2,3)14(10(17)18)7-9(16)8-15(11(19)20)13(4,5)6/h9,16H,7-8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyBMROMKIRMWGJQT-UHFFFAOYSA-N
XLogP1.90
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-hydroxypropyl)-tert-butylcarbamic acid
CID 86619449
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-tert-butylcarbamic acid
CID 175409845
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]carbamic acid
CID 90010746
[(2R)-2-aminopropyl]-tert-butylcarbamic acid
CID 97170149
tert-butyl-[(3S)-3-hydroxybutyl]carbamic acid
CID 87319200
tert-butyl-[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
CID 23567967
tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
CID 67085177
tert-butyl N-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 102402689
tert-butyl-(3-oxo-2-phenylpropyl)carbamic acid
CID 87311511
2-(4-bromophenyl)propyl-tert-butylcarbamic acid
CID 22996525
[(3S)-3-aminobutyl]-tert-butylcarbamic acid
CID 97170377
[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
CID 68602940

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid?
The IUPAC name of tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid (CID 138610691) is tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid?
The canonical SMILES for tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid is CC(C)(C)N(CC(O)CN(C(=O)O)C(C)(C)C)C(=O)O.
What is the InChIKey of tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid?
The InChIKey is BMROMKIRMWGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-12(2,3)14(10(17)18)7-9(16)8-15(11(19)20)13(4,5)6/h9,16H,7-8H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid?
tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid has a molecular weight of 290.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(carboxy)amino]-2-hydroxypropyl]carbamic acid is sourced from PubChem (CID 138610691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).