3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid

C11H21NO3 — CID 62229876

IUPAC3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
SMILESCC(C)CCCC(C)NC(=O)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)5-4-6-9(3)12-10(13)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXXLODJODAUQANC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds7

About 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid

3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid (PubChem CID 62229876) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
PubChem CID62229876
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
SMILESCC(C)CCCC(C)NC(=O)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)5-4-6-9(3)12-10(13)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyXXLODJODAUQANC-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
N-(6-methylheptan-2-yl)butanamide
CID 60644759
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 60986904
3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138255
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid (CID 62229876) is 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid is CC(C)CCCC(C)NC(=O)CC(=O)O.
What is the InChIKey of 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid?
The InChIKey is XXLODJODAUQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)5-4-6-9(3)12-10(13)7-11(14)15/h8-9H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid?
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid is sourced from PubChem (CID 62229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).