N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

C10H20N3O5- — CID 139270387

IUPACN-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)(CN)CNC(=O)[O-]
InChIInChI=1S/C10H21N3O5/c1-9(2,3)18-8(16)13-6-10(17,4-11)5-12-7(14)15/h12,17H,4-6,11H2,1-3H3,(H,13,16)(H,14,15)/p-1
InChIKeyKPDORGMIEOLGMF-UHFFFAOYSA-M
MW262.29 g/mol
LogP-1.87
Rot. Bonds5

About N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate

N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (PubChem CID 139270387) has the molecular formula C10H20N3O5- and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
PubChem CID139270387
Molecular FormulaC10H20N3O5-
Molecular Weight262.29 g/mol
Exact Mass262.14
IUPAC NameN-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)(CN)CNC(=O)[O-]
InChIInChI=1S/C10H21N3O5/c1-9(2,3)18-8(16)13-6-10(17,4-11)5-12-7(14)15/h12,17H,4-6,11H2,1-3H3,(H,13,16)(H,14,15)/p-1
InChIKeyKPDORGMIEOLGMF-UHFFFAOYSA-M
XLogP-1.87
TPSA136.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The IUPAC name of N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate (CID 139270387) is N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate.
What is the SMILES notation for N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The canonical SMILES for N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is CC(C)(C)OC(=O)NCC(O)(CN)CNC(=O)[O-].
What is the InChIKey of N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
The InChIKey is KPDORGMIEOLGMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N3O5/c1-9(2,3)18-8(16)13-6-10(17,4-11)5-12-7(14)15/h12,17H,4-6,11H2,1-3H3,(H,13,16)(H,14,15)/p-1.
What are the key properties of N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate?
N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate has a molecular weight of 262.29 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate is sourced from PubChem (CID 139270387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).