2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid

C13H23N3O4 — CID 43468758

IUPAC2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N(C)CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)12(13(19)20)14-6-11(18)16(3)7-10(17)15-9-4-5-9/h8-9,12,14H,4-7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyBOLHPLRRFADOJD-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.58
Rot. Bonds8

About 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468758) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468758
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N(C)CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-8(2)12(13(19)20)14-6-11(18)16(3)7-10(17)15-9-4-5-9/h8-9,12,14H,4-7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyBOLHPLRRFADOJD-UHFFFAOYSA-N
XLogP-0.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468491
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468758) is 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid is CC(C)C(NCC(=O)N(C)CC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is BOLHPLRRFADOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)12(13(19)20)14-6-11(18)16(3)7-10(17)15-9-4-5-9/h8-9,12,14H,4-7H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).