6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid

C9H17NO3 — CID 87463257

IUPAC6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid
SMILESC=C(C(=O)O)C(C)(C)CCC(N)O
InChIInChI=1S/C9H17NO3/c1-6(8(12)13)9(2,3)5-4-7(10)11/h7,11H,1,4-5,10H2,2-3H3,(H,12,13)
InChIKeyMGQSTIQLDAGVFX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds5

About 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid

6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid (PubChem CID 87463257) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid
PubChem CID87463257
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid
SMILESC=C(C(=O)O)C(C)(C)CCC(N)O
InChIInChI=1S/C9H17NO3/c1-6(8(12)13)9(2,3)5-4-7(10)11/h7,11H,1,4-5,10H2,2-3H3,(H,12,13)
InChIKeyMGQSTIQLDAGVFX-UHFFFAOYSA-N
XLogP0.71
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-3,3-dimethyl-2-methylidenepentanoic acid;chloromethane
CID 87121866
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
3,3-dichloro-2-methylidenebutanoic acid
CID 19901725
sodium;3-carbamoyl-2,2-dimethylbut-3-ene-1-sulfonic acid;hydride
CID 173022202
5-amino-5-cyano-2,2-dimethylpentanoic acid
CID 102089748
3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680
3-amino-3-ethyl-2-methylidenehexanoic acid
CID 174850804
bis(prop-2-enoic acid);3,3,4-trimethyl-2-methylidenepentanoic acid
CID 174911104
3,3,5,5-tetramethyl-2-methylidenehexanamide
CID 19097995
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
acetic acid;1-aminoethanol
CID 87647185
(2S)-2,5,5-triaminohexanoic acid
CID 178040033

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid?
The IUPAC name of 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid (CID 87463257) is 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid.
What is the SMILES notation for 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid?
The canonical SMILES for 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid is C=C(C(=O)O)C(C)(C)CCC(N)O.
What is the InChIKey of 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid?
The InChIKey is MGQSTIQLDAGVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(8(12)13)9(2,3)5-4-7(10)11/h7,11H,1,4-5,10H2,2-3H3,(H,12,13).
What are the key properties of 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid?
6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-hydroxy-3,3-dimethyl-2-methylidenehexanoic acid is sourced from PubChem (CID 87463257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).