3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid

C10H19NO4 — CID 81066315

IUPAC3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)OC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(5-9(12)13)6-11-10(14)15-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyPIOQJBSFVVSDFJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.62
Rot. Bonds6

About 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid

3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid (PubChem CID 81066315) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
PubChem CID81066315
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)OC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(5-9(12)13)6-11-10(14)15-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyPIOQJBSFVVSDFJ-UHFFFAOYSA-N
XLogP1.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
3-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 81064919
3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
CID 81069874
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid (CID 81066315) is 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid is CCC(CNC(=O)OC(C)C)CC(=O)O.
What is the InChIKey of 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid?
The InChIKey is PIOQJBSFVVSDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(5-9(12)13)6-11-10(14)15-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid?
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81066315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).