[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate

C13H24N4O5 — CID 155790249

IUPAC[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate
SMILESCC(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](N)COC(=O)CN
InChIInChI=1S/C13H24N4O5/c1-8(2)10(18)6-17(3)11(19)5-16-13(21)9(15)7-22-12(20)4-14/h8-9H,4-7,14-15H2,1-3H3,(H,16,21)/t9-/m1/s1
InChIKeyACKHRTYKAWWFSU-SECBINFHSA-N
MW316.36 g/mol
LogP-2.38
Rot. Bonds9

About [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate

[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate (PubChem CID 155790249) has the molecular formula C13H24N4O5 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate.

Molecular Properties

Compound Name[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate
PubChem CID155790249
Molecular FormulaC13H24N4O5
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Name[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate
SMILESCC(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](N)COC(=O)CN
InChIInChI=1S/C13H24N4O5/c1-8(2)10(18)6-17(3)11(19)5-16-13(21)9(15)7-22-12(20)4-14/h8-9H,4-7,14-15H2,1-3H3,(H,16,21)/t9-/m1/s1
InChIKeyACKHRTYKAWWFSU-SECBINFHSA-N
XLogP-2.38
TPSA144.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate with MolForge

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Related Compounds

2-(dimethylamino)-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 178008256
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
CID 170610348
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
N,2-dimethyl-N-(3-methyl-2-oxobutyl)propanamide
CID 58885009
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649
[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
CID 168824974
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
ethane;N-methyl-N-(3-methyl-2-oxobutyl)-5-oxohexanamide
CID 178048338
2-amino-3-methoxy-N-(2-methylprop-2-enyl)propanamide
CID 114617067

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate?
The IUPAC name of [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate (CID 155790249) is [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate.
What is the SMILES notation for [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate?
The canonical SMILES for [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate is CC(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](N)COC(=O)CN.
What is the InChIKey of [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate?
The InChIKey is ACKHRTYKAWWFSU-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N4O5/c1-8(2)10(18)6-17(3)11(19)5-16-13(21)9(15)7-22-12(20)4-14/h8-9H,4-7,14-15H2,1-3H3,(H,16,21)/t9-/m1/s1.
What are the key properties of [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate?
[(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate has a molecular weight of 316.36 g/mol, XLogP of -2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-[[2-[methyl-(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-3-oxopropyl] 2-aminoacetate is sourced from PubChem (CID 155790249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).