2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid

C11H20N2O4 — CID 114898951

IUPAC2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
SMILESCC(C)CNC(=O)CCNC(=O)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)6-13-9(14)4-5-12-10(15)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRISOVAZUSXYBOQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.01
Rot. Bonds7

About 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid

2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid (PubChem CID 114898951) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
PubChem CID114898951
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
SMILESCC(C)CNC(=O)CCNC(=O)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)6-13-9(14)4-5-12-10(15)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyRISOVAZUSXYBOQ-UHFFFAOYSA-N
XLogP-0.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-4-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107840936
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 113410923
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
2,2-dimethyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 113409591
2-[ethyl-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410918
(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
CID 102254878
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
3-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 107155574
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid (CID 114898951) is 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid is CC(C)CNC(=O)CCNC(=O)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid?
The InChIKey is RISOVAZUSXYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)6-13-9(14)4-5-12-10(15)8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid?
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 114898951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).