(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide

C11H20N4O2 — CID 91473037

IUPAC(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NC1C2CNCC21
InChIInChI=1S/C11H20N4O2/c1-5(12)10(16)14-6(2)11(17)15-9-7-3-13-4-8(7)9/h5-9,13H,3-4,12H2,1-2H3,(H,14,16)(H,15,17)/t5-,6-,7?,8?,9?/m0/s1
InChIKeyCUTXYMRYGPUSRP-MZLQIHHMSA-N
MW240.31 g/mol
LogP-1.83
Rot. Bonds4

About (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 91473037) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide
PubChem CID91473037
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NC1C2CNCC21
InChIInChI=1S/C11H20N4O2/c1-5(12)10(16)14-6(2)11(17)15-9-7-3-13-4-8(7)9/h5-9,13H,3-4,12H2,1-2H3,(H,14,16)(H,15,17)/t5-,6-,7?,8?,9?/m0/s1
InChIKeyCUTXYMRYGPUSRP-MZLQIHHMSA-N
XLogP-1.83
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
CID 43594342
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropylpropanamide
CID 83148051
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 5478841
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 16758239
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoic acid
CID 4079599
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide (CID 91473037) is (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide is C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1C2CNCC21.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is CUTXYMRYGPUSRP-MZLQIHHMSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5(12)10(16)14-6(2)11(17)15-9-7-3-13-4-8(7)9/h5-9,13H,3-4,12H2,1-2H3,(H,14,16)(H,15,17)/t5-,6-,7?,8?,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 240.31 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 91473037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).