[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid

C13H25N3O6 — CID 135204157

IUPAC[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NCC(CCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C13H25N3O6/c1-13(2,3)22-12(21)15-8-9(16-11(19)20)6-4-5-7-14-10(17)18/h9,14,16H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyUCSCPEXFPGYOOF-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.59
Rot. Bonds8

About [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid

[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid (PubChem CID 135204157) has the molecular formula C13H25N3O6 and a molecular weight of 319.36 g/mol. Its IUPAC name is [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
PubChem CID135204157
Molecular FormulaC13H25N3O6
Molecular Weight319.36 g/mol
Exact Mass319.17
IUPAC Name[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NCC(CCCCNC(=O)O)NC(=O)O
InChIInChI=1S/C13H25N3O6/c1-13(2,3)22-12(21)15-8-9(16-11(19)20)6-4-5-7-14-10(17)18/h9,14,16H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20)
InChIKeyUCSCPEXFPGYOOF-UHFFFAOYSA-N
XLogP1.59
TPSA136.99 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-5-[(2-aminoacetyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamic acid
CID 87743332
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113449
10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
(3S)-7-(benzoyloxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 101377580
tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 130120378
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187
S-[2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate
CID 140880775

Frequently Asked Questions

What is the IUPAC name of [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The IUPAC name of [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid (CID 135204157) is [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid.
What is the SMILES notation for [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The canonical SMILES for [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid is CC(C)(C)OC(=O)NCC(CCCCNC(=O)O)NC(=O)O.
What is the InChIKey of [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
The InChIKey is UCSCPEXFPGYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O6/c1-13(2,3)22-12(21)15-8-9(16-11(19)20)6-4-5-7-14-10(17)18/h9,14,16H,4-8H2,1-3H3,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid?
[6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid has a molecular weight of 319.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(carboxyamino)-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamic acid is sourced from PubChem (CID 135204157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).