2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid

C11H22N2O3 — CID 65223873

IUPAC2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
SMILESCC(N)CCC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)6-13-10(14)5-4-8(3)12/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyYCURWQYCXGQWAW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid

2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid (PubChem CID 65223873) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
PubChem CID65223873
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
SMILESCC(N)CCC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)6-13-10(14)5-4-8(3)12/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyYCURWQYCXGQWAW-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
3-methyl-2-[(octanoylamino)methyl]butanoic acid
CID 65215548
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
4-(4-aminopentanoylamino)-3-methoxybutanoic acid
CID 103157265

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid (CID 65223873) is 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid is CC(N)CCC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is YCURWQYCXGQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)9(11(15)16)6-13-10(14)5-4-8(3)12/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid?
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65223873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).