(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide

C11H22N4O2 — CID 154662589

IUPAC(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC1(CCNC(=O)[C@@H](N)COC(C)(C)C)N=N1
InChIInChI=1S/C11H22N4O2/c1-10(2,3)17-7-8(12)9(16)13-6-5-11(4)14-15-11/h8H,5-7,12H2,1-4H3,(H,13,16)/t8-/m0/s1
InChIKeyICSCENWCMLLTRQ-QMMMGPOBSA-N
MW242.32 g/mol
LogP0.82
Rot. Bonds6

About (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide

(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 154662589) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID154662589
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC1(CCNC(=O)[C@@H](N)COC(C)(C)C)N=N1
InChIInChI=1S/C11H22N4O2/c1-10(2,3)17-7-8(12)9(16)13-6-5-11(4)14-15-11/h8H,5-7,12H2,1-4H3,(H,13,16)/t8-/m0/s1
InChIKeyICSCENWCMLLTRQ-QMMMGPOBSA-N
XLogP0.82
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,3,3-tetramethylbutyl)propanamide
CID 142423575
2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 155282670
(2S)-2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 14059342
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid;chloromethane
CID 160898573
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
tert-butyl (2S)-2-[2-(3-methyldiazirin-3-yl)ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 164724803
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
methyl (2S)-2-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-methylpentanoate
CID 129404472
tert-butyl (3S)-3-amino-4-[2-(3-methyldiazirin-3-yl)ethylamino]-4-oxobutanoate;tert-butyl (3S,6S)-6-[2-(3-methyldiazirin-3-yl)ethylamino]-3-[2-(3-methyldiazirin-3-yl)ethylcarbamoyl]-10-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxodecanoate;methane;(3S,6S)-6-[2-(3-methyldiazirin-3-yl)ethylamino]-3-[2-(3-methyldiazirin-3-yl)ethylcarbamoyl]-10-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxodecanoic acid;(2S)-2-[2-(3-methyldiazirin-3-yl)ethylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 165097388
2-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxypropanamide
CID 81101223
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
2-amino-6-[3-(3-methyldiazirin-3-yl)propylcarbamoylamino]hexanoic acid;hydrochloride
CID 171324498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 154662589) is (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide is CC1(CCNC(=O)[C@@H](N)COC(C)(C)C)N=N1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is ICSCENWCMLLTRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-10(2,3)17-7-8(12)9(16)13-6-5-11(4)14-15-11/h8H,5-7,12H2,1-4H3,(H,13,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide?
(2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 242.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-methyldiazirin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 154662589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).