tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate

C15H29N3O5 — CID 11099595

IUPACtert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-9(2)7-10(12(20)16-6)18-13(21)11(19)8-17-14(22)23-15(3,4)5/h9-11,19H,7-8H2,1-6H3,(H,16,20)(H,17,22)(H,18,21)/t10-,11?/m0/s1
InChIKeyRIIDZHAVNHAMDH-VUWPPUDQSA-N
MW331.41 g/mol
LogP0.15
Rot. Bonds7

About tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate

tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate (PubChem CID 11099595) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
PubChem CID11099595
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Nametert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O5/c1-9(2)7-10(12(20)16-6)18-13(21)11(19)8-17-14(22)23-15(3,4)5/h9-11,19H,7-8H2,1-6H3,(H,16,20)(H,17,22)(H,18,21)/t10-,11?/m0/s1
InChIKeyRIIDZHAVNHAMDH-VUWPPUDQSA-N
XLogP0.15
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-oxo-2-sulfanylpropyl]carbamate
CID 11754021
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
tert-butyl N-[(2S)-3-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxo-2-sulfanylpropyl]carbamate
CID 10962426
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 135363955
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
S-[(2R)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] ethanethioate
CID 10995356
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 7018767
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate (CID 11099595) is tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate is CNC(=O)[C@H](CC(C)C)NC(=O)C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
The InChIKey is RIIDZHAVNHAMDH-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-9(2)7-10(12(20)16-6)18-13(21)11(19)8-17-14(22)23-15(3,4)5/h9-11,19H,7-8H2,1-6H3,(H,16,20)(H,17,22)(H,18,21)/t10-,11?/m0/s1.
What are the key properties of tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate has a molecular weight of 331.41 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 11099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).