5-(2-methylpropoxyamino)pentanoic acid

C9H19NO3 — CID 103261565

IUPAC5-(2-methylpropoxyamino)pentanoic acid
SMILESCC(C)CONCCCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-8(2)7-13-10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyVCRJNRMJHIHBGC-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.42
Rot. Bonds8

About 5-(2-methylpropoxyamino)pentanoic acid

5-(2-methylpropoxyamino)pentanoic acid (PubChem CID 103261565) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-(2-methylpropoxyamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-methylpropoxyamino)pentanoic acid
PubChem CID103261565
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name5-(2-methylpropoxyamino)pentanoic acid
SMILESCC(C)CONCCCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-8(2)7-13-10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyVCRJNRMJHIHBGC-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
12,17-dimethyloctadecanoic acid
CID 123475021
methoxymethane;16-methylheptadecanoic acid
CID 175921970
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
CID 87955978
ethane-1,1-diol;hexanedioic acid
CID 160553867

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxyamino)pentanoic acid?
The IUPAC name of 5-(2-methylpropoxyamino)pentanoic acid (CID 103261565) is 5-(2-methylpropoxyamino)pentanoic acid.
What is the SMILES notation for 5-(2-methylpropoxyamino)pentanoic acid?
The canonical SMILES for 5-(2-methylpropoxyamino)pentanoic acid is CC(C)CONCCCCC(=O)O.
What is the InChIKey of 5-(2-methylpropoxyamino)pentanoic acid?
The InChIKey is VCRJNRMJHIHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)7-13-10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methylpropoxyamino)pentanoic acid?
5-(2-methylpropoxyamino)pentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxyamino)pentanoic acid is sourced from PubChem (CID 103261565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).