(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide

C12H20N4O3 — CID 22689861

IUPAC(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)no1
InChIInChI=1S/C12H20N4O3/c1-6(2)10(13)12(18)14-8(4)11(17)15-9-5-7(3)19-16-9/h5-6,8,10H,13H2,1-4H3,(H,14,18)(H,15,16,17)/t8-,10-/m0/s1
InChIKeyPUNSSEIJVCVPLS-WPRPVWTQSA-N
MW268.32 g/mol
LogP0.41
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide

(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide (PubChem CID 22689861) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
PubChem CID22689861
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
SMILESCc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)no1
InChIInChI=1S/C12H20N4O3/c1-6(2)10(13)12(18)14-8(4)11(17)15-9-5-7(3)19-16-9/h5-6,8,10H,13H2,1-4H3,(H,14,18)(H,15,16,17)/t8-,10-/m0/s1
InChIKeyPUNSSEIJVCVPLS-WPRPVWTQSA-N
XLogP0.41
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 112507096
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110420997
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)propanamide
CID 110624121
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide (CID 22689861) is (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide is Cc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)no1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is PUNSSEIJVCVPLS-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6(2)10(13)12(18)14-8(4)11(17)15-9-5-7(3)19-16-9/h5-6,8,10H,13H2,1-4H3,(H,14,18)(H,15,16,17)/t8-,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide?
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 268.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 22689861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).