[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate

C12H26N2O4 — CID 163425725

IUPAC[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CNC(=O)OC(C)(C)CCC[C@H](O)CN
InChIInChI=1S/C12H26N2O4/c1-9(15)8-14-11(17)18-12(2,3)6-4-5-10(16)7-13/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyAMIPJIQCHAVZDZ-UWVGGRQHSA-N
MW262.35 g/mol
LogP0.36
Rot. Bonds8

About [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate

[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate (PubChem CID 163425725) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Name[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate
PubChem CID163425725
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CNC(=O)OC(C)(C)CCC[C@H](O)CN
InChIInChI=1S/C12H26N2O4/c1-9(15)8-14-11(17)18-12(2,3)6-4-5-10(16)7-13/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyAMIPJIQCHAVZDZ-UWVGGRQHSA-N
XLogP0.36
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
CID 108864438
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
CID 139351800
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929

Frequently Asked Questions

What is the IUPAC name of [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate?
The IUPAC name of [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate (CID 163425725) is [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate.
What is the SMILES notation for [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate?
The canonical SMILES for [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate is C[C@H](O)CNC(=O)OC(C)(C)CCC[C@H](O)CN.
What is the InChIKey of [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate?
The InChIKey is AMIPJIQCHAVZDZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-9(15)8-14-11(17)18-12(2,3)6-4-5-10(16)7-13/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate?
[(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-7-amino-6-hydroxy-2-methylheptan-2-yl] N-[(2S)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 163425725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).